From c463574d5afc38a6f0ee2993e6798991cc930538 Mon Sep 17 00:00:00 2001
From: Fawzi Mohamed <fawzi.mohamed@fhi-berlin.mpg.de>
Date: Thu, 27 Oct 2016 20:05:44 +0200
Subject: [PATCH] removing annotate file

---
 .gitignore                              |    1 +
 test/examples/ferroSO/INFO.OUT.annotate | 1111 -----------------------
 2 files changed, 1 insertion(+), 1111 deletions(-)
 delete mode 100644 test/examples/ferroSO/INFO.OUT.annotate

diff --git a/.gitignore b/.gitignore
index a6cb8b6..7151c2a 100644
--- a/.gitignore
+++ b/.gitignore
@@ -10,6 +10,7 @@ syntax: glob
 *.bk
 *.swp
 .DS_Store
+*.annotate
 
 # logging files
 detailed.log
diff --git a/test/examples/ferroSO/INFO.OUT.annotate b/test/examples/ferroSO/INFO.OUT.annotate
deleted file mode 100644
index 1a6af7b..0000000
--- a/test/examples/ferroSO/INFO.OUT.annotate
+++ /dev/null
@@ -1,1111 +0,0 @@
-# this file contains ANSI colors; use 'less -R' to view it
-  parser_exciting.py:0313    root matcher        no|================================================================================
-  parser_exciting.py:0313          header   p_start|| EXCITING CARBON started                                                      =
-  parser_exciting.py:0313          header        no|| version hash id:                                                             =
-  parser_exciting.py:0313          header        no||                                                                              =
-  parser_exciting.py:0313          header        no|| Date (DD-MM-YYYY) : 01-09-2016                                               =
-  parser_exciting.py:0313          header        no|| Time (hh:mm:ss)   : 17:32:02                                                 =
-  parser_exciting.py:0313          header        no||                                                                              =
-  parser_exciting.py:0313          header        no|| All units are atomic (Hartree, Bohr, etc.)                                   =
-  parser_exciting.py:0313          header        no|================================================================================
-  parser_exciting.py:0313  coverageIgnore     g_ign|
-  parser_exciting.py:0313          header        no|********************************************************************************
-  parser_exciting.py:0313          header        no|| Ground-state run starting from atomic densities                              *
-  parser_exciting.py:0313          header        no|********************************************************************************
-  parser_exciting.py:0313  coverageIgnore     g_ign|
-  parser_exciting.py:0313          header        no|++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
-  parser_exciting.py:0240           input   p_start|| Starting initialization                                                      +
-  parser_exciting.py:0240           input        no|++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
-  parser_exciting.py:0240  coverageIgnore     g_ign|
-  parser_exciting.py:0193         UNNAMED   p_start| Lattice vectors (cartesian) :
-  parser_exciting.py:0193         UNNAMED   p_start|      2.6000000000      2.6000000000     -2.6000000000
-  parser_exciting.py:0193         UNNAMED   p_start|      2.6000000000     -2.6000000000      2.6000000000
-  parser_exciting.py:0193         UNNAMED   p_start|     -2.6000000000      2.6000000000      2.6000000000
-  parser_exciting.py:0193  coverageIgnore     g_ign|
-  parser_exciting.py:0199         UNNAMED   p_start| Reciprocal lattice vectors (cartesian) :
-  parser_exciting.py:0199         UNNAMED   p_start|      1.2083048668      1.2083048668      0.0000000000
-  parser_exciting.py:0199         UNNAMED   p_start|      1.2083048668      0.0000000000      1.2083048668
-  parser_exciting.py:0199         UNNAMED   p_start|      0.0000000000      1.2083048668      1.2083048668
-  parser_exciting.py:0199  coverageIgnore     g_ign|
-  parser_exciting.py:0201         UNNAMED   p_start| Unit cell volume                           :      70.3040000000
-  parser_exciting.py:0202         UNNAMED   p_start| Brillouin zone volume                      :       3.5282517843
-  parser_exciting.py:0202  coverageIgnore     g_ign|
-  parser_exciting.py:0209         UNNAMED   p_start| Species :    1 (Fe)
-  parser_exciting.py:0209         UNNAMED        no|     parameters loaded from                 :    Fe.xml
-  parser_exciting.py:0209         UNNAMED        no|     name                                   :    iron
-  parser_exciting.py:0209         UNNAMED        no|     nuclear charge                         :     -26.00000000
-  parser_exciting.py:0209         UNNAMED        no|     electronic charge                      :      26.00000000
-  parser_exciting.py:0209         UNNAMED        no|     atomic mass                            :  101799.20740000
-  parser_exciting.py:0205         UNNAMED   p_start|     muffin-tin radius                      :       2.00000000
-  parser_exciting.py:0206         UNNAMED   p_start|     # of radial points in muffin-tin       :     350
-  parser_exciting.py:0206  coverageIgnore     g_ign|
-  parser_exciting.py:0209         UNNAMED     start|     atomic positions (lattice) :
-  parser_exciting.py:0209         UNNAMED   p_start|       1 :   0.00000000  0.00000000  0.00000000
-  parser_exciting.py:0209  coverageIgnore     g_ign|
-  parser_exciting.py:0212         UNNAMED   p_start| Total number of atoms per unit cell        :       1
-  parser_exciting.py:0212  coverageIgnore     g_ign|
-  parser_exciting.py:0213         UNNAMED     start| Spin treatment                             :    spin-polarised
-  parser_exciting.py:0213         UNNAMED        no| Global magnetic field (cartesian) :        0.00000000   0.00000000  -4.00000000
-  parser_exciting.py:0213         UNNAMED        no| collinear magnetisation in z-direction
-  parser_exciting.py:0213  coverageIgnore     g_ign|
-  parser_exciting.py:0213         UNNAMED        no| Number of Bravais lattice symmetries       :      48
-  parser_exciting.py:0213         UNNAMED        no| Number of crystal symmetries               :      48
-  parser_exciting.py:0213  coverageIgnore     g_ign|
-  parser_exciting.py:0214         UNNAMED   p_start| k-point grid                               :       8    8    8
-  parser_exciting.py:0216         UNNAMED   p_start| Total number of k-points                   :      29
-  parser_exciting.py:0216         UNNAMED        no| k-point set is reduced with crystal symmetries
-  parser_exciting.py:0216  coverageIgnore     g_ign|
-  parser_exciting.py:0217         UNNAMED   p_start| R^MT_min * |G+k|_max (rgkmax)              :       8.00000000
-  parser_exciting.py:0217         UNNAMED        no| Species with R^MT_min                      :       1 (Fe)
-  parser_exciting.py:0218         UNNAMED   p_start| Maximum |G+k| for APW functions            :       4.00000000
-  parser_exciting.py:0219         UNNAMED   p_start| Maximum |G| for potential and density      :      12.00000000
-  parser_exciting.py:0219  coverageIgnore     g_ign|
-  parser_exciting.py:0220         UNNAMED   p_start| G-vector grid sizes                        :      18    18    18
-  parser_exciting.py:0221         UNNAMED   p_start| Total number of G-vectors                  :    2093
-  parser_exciting.py:0221  coverageIgnore     g_ign|
-  parser_exciting.py:0224         UNNAMED     start| Maximum angular momentum used for
-  parser_exciting.py:0224         UNNAMED   p_start|     APW functions                          :       8
-  parser_exciting.py:0224         UNNAMED        no|     computing H and O matrix elements      :       8
-  parser_exciting.py:0224         UNNAMED        no|     potential and density                  :       8
-  parser_exciting.py:0224         UNNAMED        no|     inner part of muffin-tin               :       2
-  parser_exciting.py:0224  coverageIgnore     g_ign|
-  parser_exciting.py:0226         UNNAMED   p_start| Total nuclear charge                       :     -26.00000000
-  parser_exciting.py:0227         UNNAMED   p_start| Total electronic charge                    :      26.00000000
-  parser_exciting.py:0228         UNNAMED   p_start| Total core charge                          :      10.00000000
-  parser_exciting.py:0229         UNNAMED   p_start| Total valence charge                       :      16.00000000
-  parser_exciting.py:0229  coverageIgnore     g_ign|
-  parser_exciting.py:0231         UNNAMED   p_start| Number of empty states                     :      10
-  parser_exciting.py:0232         UNNAMED   p_start| Total number of valence states             :      38
-  parser_exciting.py:0232  coverageIgnore     g_ign|
-  parser_exciting.py:0233         UNNAMED   p_start| Maximum Hamiltonian size                   :      96
-  parser_exciting.py:0234         UNNAMED   p_start| Maximum number of plane-waves              :      83
-  parser_exciting.py:0235         UNNAMED   p_start| Total number of local-orbitals             :      13
-  parser_exciting.py:0235  coverageIgnore     g_ign|
-  parser_exciting.py:0237         UNNAMED   p_start| Exchange-correlation type                  :      22
-  parser_exciting.py:0237         UNNAMED        no|     PBEsol, Phys. Rev. Lett. 100, 136406 (2008)
-  parser_exciting.py:0237         UNNAMED        no|     Generalised gradient approximation (GGA)
-  parser_exciting.py:0237  coverageIgnore     g_ign|
-  parser_exciting.py:0238         UNNAMED   p_start| Smearing scheme                            :    Gaussian
-  parser_exciting.py:0239         UNNAMED   p_start| Smearing width                             :       0.01000000
-  parser_exciting.py:0239  coverageIgnore     g_ign|
-  parser_exciting.py:0240         UNNAMED   p_start| Using multisecant Broyden potential mixing
-  parser_exciting.py:0240  coverageIgnore     g_ign|
-  parser_exciting.py:0240         UNNAMED        no|++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
-  parser_exciting.py:0240           input     p_end|| Ending initialization                                                        +
-  parser_exciting.py:0240           input        no|++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
-  parser_exciting.py:0240  coverageIgnore     g_ign|
-  parser_exciting.py:0240           input        no|********************************************************************************
-  parser_exciting.py:0240           input        no|| Groundstate module started                                                   *
-  parser_exciting.py:0240           input        no|********************************************************************************
-  parser_exciting.py:0240           input        no| Output level for this task is set to normal
-  parser_exciting.py:0240  coverageIgnore     g_ign|
-  parser_exciting.py:0240           input        no|++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
-  parser_exciting.py:0313 ation iteration   p_start|| Self-consistent loop started                                                 +
-  parser_exciting.py:0313 ation iteration        no|++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
-  parser_exciting.py:0313 ation iteration        no| Density and potential initialised from atomic data
-  parser_exciting.py:0313  coverageIgnore     g_ign|
-  parser_exciting.py:0313  coverageIgnore     g_ign|
-  parser_exciting.py:0313 ation iteration        no|++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
-  parser_exciting.py:0276       scfi totE   p_start|| SCF iteration number :    1                                                  +
-  parser_exciting.py:0276       scfi totE        no|++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
-  parser_exciting.py:0252         UNNAMED   p_start| Total energy                               :     -1266.75544961
-  parser_exciting.py:0252         UNNAMED        no| _______________________________________________________________
-  parser_exciting.py:0253         UNNAMED   p_start| Fermi energy                               :         0.46406375
-  parser_exciting.py:0254         UNNAMED   p_start| Kinetic energy                             :      1291.01414344
-  parser_exciting.py:0255         UNNAMED   p_start| Coulomb energy                             :     -2503.24799722
-  parser_exciting.py:0256         UNNAMED   p_start| Exchange energy                            :       -53.13444941
-  parser_exciting.py:0257         UNNAMED   p_start| Correlation energy                         :        -1.38714642
-  parser_exciting.py:0257         UNNAMED        no| No external B-field energy in total energy
-  parser_exciting.py:0257  coverageIgnore     g_ign|
-  parser_exciting.py:0268         UNNAMED   p_start| DOS at Fermi energy (states/Ha/cell)       :        69.41296454
-  parser_exciting.py:0268  coverageIgnore     g_ign|
-  parser_exciting.py:0268         UNNAMED        no| Electron charges :
-  parser_exciting.py:0268         UNNAMED        no|     core                                   :        10.00000000
-  parser_exciting.py:0269         UNNAMED   p_start|     core leakage                           :         0.00000000
-  parser_exciting.py:0269         UNNAMED        no|     valence                                :        16.00000000
-  parser_exciting.py:0270         UNNAMED   p_start|     interstitial                           :         1.94882247
-  parser_exciting.py:0270         UNNAMED        no|     charge in muffin-tin spheres :
-  parser_exciting.py:0270         UNNAMED        no|                  atom     1    Fe          :        24.05117753
-  parser_exciting.py:0271         UNNAMED   p_start|     total charge in muffin-tins            :        24.05117753
-  parser_exciting.py:0271         UNNAMED        no|     total charge                           :        26.00000000
-  parser_exciting.py:0271  coverageIgnore     g_ign|
-  parser_exciting.py:0271         UNNAMED        no| Moments :
-  parser_exciting.py:0271         UNNAMED        no|     interstitial                           :         0.06786656
-  parser_exciting.py:0271         UNNAMED        no|     moment in muffin-tin spheres :
-  parser_exciting.py:0271         UNNAMED        no|                  atom     1    Fe          :         1.00191373
-  parser_exciting.py:0271         UNNAMED        no|     total moment in muffin-tins            :         1.00191373
-  parser_exciting.py:0271         UNNAMED        no|     total moment                           :         1.06978029
-  parser_exciting.py:0271  coverageIgnore     g_ign|
-  parser_exciting.py:0273         UNNAMED   p_start| Wall time (seconds)                        :        13.27
-  parser_exciting.py:0273  coverageIgnore     g_ign|
-  parser_exciting.py:0273         UNNAMED        no|++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
-  parser_exciting.py:0276       scfi totE   p_start|| SCF iteration number :    2                                                  +
-  parser_exciting.py:0276       scfi totE        no|++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
-  parser_exciting.py:0252         UNNAMED   p_start| Total energy                               :     -1271.05351605
-  parser_exciting.py:0252         UNNAMED        no| _______________________________________________________________
-  parser_exciting.py:0253         UNNAMED   p_start| Fermi energy                               :         0.43334333
-  parser_exciting.py:0254         UNNAMED   p_start| Kinetic energy                             :      1289.16140266
-  parser_exciting.py:0255         UNNAMED   p_start| Coulomb energy                             :     -2505.49090557
-  parser_exciting.py:0256         UNNAMED   p_start| Exchange energy                            :       -53.33620665
-  parser_exciting.py:0257         UNNAMED   p_start| Correlation energy                         :        -1.38780649
-  parser_exciting.py:0257         UNNAMED        no| No external B-field energy in total energy
-  parser_exciting.py:0257  coverageIgnore     g_ign|
-  parser_exciting.py:0268         UNNAMED   p_start| DOS at Fermi energy (states/Ha/cell)       :        71.78511387
-  parser_exciting.py:0268  coverageIgnore     g_ign|
-  parser_exciting.py:0268         UNNAMED        no| Electron charges :
-  parser_exciting.py:0268         UNNAMED        no|     core                                   :        10.00000000
-  parser_exciting.py:0269         UNNAMED   p_start|     core leakage                           :         0.00000000
-  parser_exciting.py:0269         UNNAMED        no|     valence                                :        16.00000000
-  parser_exciting.py:0270         UNNAMED   p_start|     interstitial                           :         1.82627869
-  parser_exciting.py:0270         UNNAMED        no|     charge in muffin-tin spheres :
-  parser_exciting.py:0270         UNNAMED        no|                  atom     1    Fe          :        24.17372131
-  parser_exciting.py:0271         UNNAMED   p_start|     total charge in muffin-tins            :        24.17372131
-  parser_exciting.py:0271         UNNAMED        no|     total charge                           :        26.00000000
-  parser_exciting.py:0271  coverageIgnore     g_ign|
-  parser_exciting.py:0271         UNNAMED        no| Moments :
-  parser_exciting.py:0271         UNNAMED        no|     interstitial                           :         0.04166410
-  parser_exciting.py:0271         UNNAMED        no|     moment in muffin-tin spheres :
-  parser_exciting.py:0271         UNNAMED        no|                  atom     1    Fe          :         0.91346456
-  parser_exciting.py:0271         UNNAMED        no|     total moment in muffin-tins            :         0.91346456
-  parser_exciting.py:0271         UNNAMED        no|     total moment                           :         0.95512866
-  parser_exciting.py:0271  coverageIgnore     g_ign|
-  parser_exciting.py:0273         UNNAMED   p_start| Wall time (seconds)                        :        27.27
-  parser_exciting.py:0273  coverageIgnore     g_ign|
-  parser_exciting.py:0274         UNNAMED   p_start| RMS change in effective potential (target) :  0.331159E-01  ( 0.100000E-05)
-  parser_exciting.py:0275         UNNAMED   p_start| Absolute change in total energy   (target) :   4.29807      ( 0.100000E-05)
-  parser_exciting.py:0276         UNNAMED   p_start| Charge distance                   (target) :  0.136220E-01  ( 0.100000E-04)
-  parser_exciting.py:0276  coverageIgnore     g_ign|
-  parser_exciting.py:0276         UNNAMED        no|++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
-  parser_exciting.py:0276       scfi totE   p_start|| SCF iteration number :    3                                                  +
-  parser_exciting.py:0276       scfi totE        no|++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
-  parser_exciting.py:0252         UNNAMED   p_start| Total energy                               :     -1271.48226210
-  parser_exciting.py:0252         UNNAMED        no| _______________________________________________________________
-  parser_exciting.py:0253         UNNAMED   p_start| Fermi energy                               :         0.42773813
-  parser_exciting.py:0254         UNNAMED   p_start| Kinetic energy                             :      1288.92772922
-  parser_exciting.py:0255         UNNAMED   p_start| Coulomb energy                             :     -2505.66685006
-  parser_exciting.py:0256         UNNAMED   p_start| Exchange energy                            :       -53.35535498
-  parser_exciting.py:0257         UNNAMED   p_start| Correlation energy                         :        -1.38778628
-  parser_exciting.py:0257         UNNAMED        no| No external B-field energy in total energy
-  parser_exciting.py:0257  coverageIgnore     g_ign|
-  parser_exciting.py:0268         UNNAMED   p_start| DOS at Fermi energy (states/Ha/cell)       :        69.55643223
-  parser_exciting.py:0268  coverageIgnore     g_ign|
-  parser_exciting.py:0268         UNNAMED        no| Electron charges :
-  parser_exciting.py:0268         UNNAMED        no|     core                                   :        10.00000000
-  parser_exciting.py:0269         UNNAMED   p_start|     core leakage                           :         0.00000000
-  parser_exciting.py:0269         UNNAMED        no|     valence                                :        16.00000000
-  parser_exciting.py:0270         UNNAMED   p_start|     interstitial                           :         1.81399000
-  parser_exciting.py:0270         UNNAMED        no|     charge in muffin-tin spheres :
-  parser_exciting.py:0270         UNNAMED        no|                  atom     1    Fe          :        24.18601000
-  parser_exciting.py:0271         UNNAMED   p_start|     total charge in muffin-tins            :        24.18601000
-  parser_exciting.py:0271         UNNAMED        no|     total charge                           :        26.00000000
-  parser_exciting.py:0271  coverageIgnore     g_ign|
-  parser_exciting.py:0271         UNNAMED        no| Moments :
-  parser_exciting.py:0271         UNNAMED        no|     interstitial                           :         0.02892807
-  parser_exciting.py:0271         UNNAMED        no|     moment in muffin-tin spheres :
-  parser_exciting.py:0271         UNNAMED        no|                  atom     1    Fe          :         0.93155998
-  parser_exciting.py:0271         UNNAMED        no|     total moment in muffin-tins            :         0.93155998
-  parser_exciting.py:0271         UNNAMED        no|     total moment                           :         0.96048804
-  parser_exciting.py:0271  coverageIgnore     g_ign|
-  parser_exciting.py:0273         UNNAMED   p_start| Wall time (seconds)                        :        41.46
-  parser_exciting.py:0273  coverageIgnore     g_ign|
-  parser_exciting.py:0274         UNNAMED   p_start| RMS change in effective potential (target) :  0.254169E-01  ( 0.100000E-05)
-  parser_exciting.py:0275         UNNAMED   p_start| Absolute change in total energy   (target) :  0.428746      ( 0.100000E-05)
-  parser_exciting.py:0276         UNNAMED   p_start| Charge distance                   (target) :  0.130797E-02  ( 0.100000E-04)
-  parser_exciting.py:0276  coverageIgnore     g_ign|
-  parser_exciting.py:0276         UNNAMED        no|++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
-  parser_exciting.py:0276       scfi totE   p_start|| SCF iteration number :    4                                                  +
-  parser_exciting.py:0276       scfi totE        no|++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
-  parser_exciting.py:0252         UNNAMED   p_start| Total energy                               :     -1271.44072905
-  parser_exciting.py:0252         UNNAMED        no| _______________________________________________________________
-  parser_exciting.py:0253         UNNAMED   p_start| Fermi energy                               :         0.41907016
-  parser_exciting.py:0254         UNNAMED   p_start| Kinetic energy                             :      1288.79811095
-  parser_exciting.py:0255         UNNAMED   p_start| Coulomb energy                             :     -2505.49269926
-  parser_exciting.py:0256         UNNAMED   p_start| Exchange energy                            :       -53.36011611
-  parser_exciting.py:0257         UNNAMED   p_start| Correlation energy                         :        -1.38602463
-  parser_exciting.py:0257         UNNAMED        no| No external B-field energy in total energy
-  parser_exciting.py:0257  coverageIgnore     g_ign|
-  parser_exciting.py:0268         UNNAMED   p_start| DOS at Fermi energy (states/Ha/cell)       :        38.21626960
-  parser_exciting.py:0268  coverageIgnore     g_ign|
-  parser_exciting.py:0268         UNNAMED        no| Electron charges :
-  parser_exciting.py:0268         UNNAMED        no|     core                                   :        10.00000000
-  parser_exciting.py:0269         UNNAMED   p_start|     core leakage                           :         0.00000000
-  parser_exciting.py:0269         UNNAMED        no|     valence                                :        16.00000000
-  parser_exciting.py:0270         UNNAMED   p_start|     interstitial                           :         1.82292269
-  parser_exciting.py:0270         UNNAMED        no|     charge in muffin-tin spheres :
-  parser_exciting.py:0270         UNNAMED        no|                  atom     1    Fe          :        24.17707731
-  parser_exciting.py:0271         UNNAMED   p_start|     total charge in muffin-tins            :        24.17707731
-  parser_exciting.py:0271         UNNAMED        no|     total charge                           :        26.00000000
-  parser_exciting.py:0271  coverageIgnore     g_ign|
-  parser_exciting.py:0271         UNNAMED        no| Moments :
-  parser_exciting.py:0271         UNNAMED        no|     interstitial                           :         0.01809234
-  parser_exciting.py:0271         UNNAMED        no|     moment in muffin-tin spheres :
-  parser_exciting.py:0271         UNNAMED        no|                  atom     1    Fe          :         1.48817582
-  parser_exciting.py:0271         UNNAMED        no|     total moment in muffin-tins            :         1.48817582
-  parser_exciting.py:0271         UNNAMED        no|     total moment                           :         1.50626816
-  parser_exciting.py:0271  coverageIgnore     g_ign|
-  parser_exciting.py:0273         UNNAMED   p_start| Wall time (seconds)                        :        55.57
-  parser_exciting.py:0273  coverageIgnore     g_ign|
-  parser_exciting.py:0274         UNNAMED   p_start| RMS change in effective potential (target) :  0.317475E-02  ( 0.100000E-05)
-  parser_exciting.py:0275         UNNAMED   p_start| Absolute change in total energy   (target) :  0.415331E-01  ( 0.100000E-05)
-  parser_exciting.py:0276         UNNAMED   p_start| Charge distance                   (target) :  0.179750E-02  ( 0.100000E-04)
-  parser_exciting.py:0276  coverageIgnore     g_ign|
-  parser_exciting.py:0276         UNNAMED        no|++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
-  parser_exciting.py:0276       scfi totE   p_start|| SCF iteration number :    5                                                  +
-  parser_exciting.py:0276       scfi totE        no|++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
-  parser_exciting.py:0252         UNNAMED   p_start| Total energy                               :     -1271.79916503
-  parser_exciting.py:0252         UNNAMED        no| _______________________________________________________________
-  parser_exciting.py:0253         UNNAMED   p_start| Fermi energy                               :         0.41739459
-  parser_exciting.py:0254         UNNAMED   p_start| Kinetic energy                             :      1288.67078395
-  parser_exciting.py:0255         UNNAMED   p_start| Coulomb energy                             :     -2505.69557457
-  parser_exciting.py:0256         UNNAMED   p_start| Exchange energy                            :       -53.38925613
-  parser_exciting.py:0257         UNNAMED   p_start| Correlation energy                         :        -1.38511828
-  parser_exciting.py:0257         UNNAMED        no| No external B-field energy in total energy
-  parser_exciting.py:0257  coverageIgnore     g_ign|
-  parser_exciting.py:0268         UNNAMED   p_start| DOS at Fermi energy (states/Ha/cell)       :        31.14831327
-  parser_exciting.py:0268  coverageIgnore     g_ign|
-  parser_exciting.py:0268         UNNAMED        no| Electron charges :
-  parser_exciting.py:0268         UNNAMED        no|     core                                   :        10.00000000
-  parser_exciting.py:0269         UNNAMED   p_start|     core leakage                           :         0.00000000
-  parser_exciting.py:0269         UNNAMED        no|     valence                                :        16.00000000
-  parser_exciting.py:0270         UNNAMED   p_start|     interstitial                           :         1.81119235
-  parser_exciting.py:0270         UNNAMED        no|     charge in muffin-tin spheres :
-  parser_exciting.py:0270         UNNAMED        no|                  atom     1    Fe          :        24.18880765
-  parser_exciting.py:0271         UNNAMED   p_start|     total charge in muffin-tins            :        24.18880765
-  parser_exciting.py:0271         UNNAMED        no|     total charge                           :        26.00000000
-  parser_exciting.py:0271  coverageIgnore     g_ign|
-  parser_exciting.py:0271         UNNAMED        no| Moments :
-  parser_exciting.py:0271         UNNAMED        no|     interstitial                           :         0.01087808
-  parser_exciting.py:0271         UNNAMED        no|     moment in muffin-tin spheres :
-  parser_exciting.py:0271         UNNAMED        no|                  atom     1    Fe          :         1.73441378
-  parser_exciting.py:0271         UNNAMED        no|     total moment in muffin-tins            :         1.73441378
-  parser_exciting.py:0271         UNNAMED        no|     total moment                           :         1.74529186
-  parser_exciting.py:0271  coverageIgnore     g_ign|
-  parser_exciting.py:0273         UNNAMED   p_start| Wall time (seconds)                        :        69.66
-  parser_exciting.py:0273  coverageIgnore     g_ign|
-  parser_exciting.py:0274         UNNAMED   p_start| RMS change in effective potential (target) :  0.254186E-02  ( 0.100000E-05)
-  parser_exciting.py:0275         UNNAMED   p_start| Absolute change in total energy   (target) :  0.358436      ( 0.100000E-05)
-  parser_exciting.py:0276         UNNAMED   p_start| Charge distance                   (target) :  0.141657E-02  ( 0.100000E-04)
-  parser_exciting.py:0276  coverageIgnore     g_ign|
-  parser_exciting.py:0276         UNNAMED        no|++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
-  parser_exciting.py:0276       scfi totE   p_start|| SCF iteration number :    6                                                  +
-  parser_exciting.py:0276       scfi totE        no|++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
-  parser_exciting.py:0252         UNNAMED   p_start| Total energy                               :     -1271.63875973
-  parser_exciting.py:0252         UNNAMED        no| _______________________________________________________________
-  parser_exciting.py:0253         UNNAMED   p_start| Fermi energy                               :         0.41720518
-  parser_exciting.py:0254         UNNAMED   p_start| Kinetic energy                             :      1288.76510779
-  parser_exciting.py:0255         UNNAMED   p_start| Coulomb energy                             :     -2505.62658989
-  parser_exciting.py:0256         UNNAMED   p_start| Exchange energy                            :       -53.39321985
-  parser_exciting.py:0257         UNNAMED   p_start| Correlation energy                         :        -1.38405778
-  parser_exciting.py:0257         UNNAMED        no| No external B-field energy in total energy
-  parser_exciting.py:0257  coverageIgnore     g_ign|
-  parser_exciting.py:0268         UNNAMED   p_start| DOS at Fermi energy (states/Ha/cell)       :        26.29334803
-  parser_exciting.py:0268  coverageIgnore     g_ign|
-  parser_exciting.py:0268         UNNAMED        no| Electron charges :
-  parser_exciting.py:0268         UNNAMED        no|     core                                   :        10.00000000
-  parser_exciting.py:0269         UNNAMED   p_start|     core leakage                           :         0.00000000
-  parser_exciting.py:0269         UNNAMED        no|     valence                                :        16.00000000
-  parser_exciting.py:0270         UNNAMED   p_start|     interstitial                           :         1.81554048
-  parser_exciting.py:0270         UNNAMED        no|     charge in muffin-tin spheres :
-  parser_exciting.py:0270         UNNAMED        no|                  atom     1    Fe          :        24.18445952
-  parser_exciting.py:0271         UNNAMED   p_start|     total charge in muffin-tins            :        24.18445952
-  parser_exciting.py:0271         UNNAMED        no|     total charge                           :        26.00000000
-  parser_exciting.py:0271  coverageIgnore     g_ign|
-  parser_exciting.py:0271         UNNAMED        no| Moments :
-  parser_exciting.py:0271         UNNAMED        no|     interstitial                           :        -0.00470519
-  parser_exciting.py:0271         UNNAMED        no|     moment in muffin-tin spheres :
-  parser_exciting.py:0271         UNNAMED        no|                  atom     1    Fe          :         1.97118680
-  parser_exciting.py:0271         UNNAMED        no|     total moment in muffin-tins            :         1.97118680
-  parser_exciting.py:0271         UNNAMED        no|     total moment                           :         1.96648161
-  parser_exciting.py:0271  coverageIgnore     g_ign|
-  parser_exciting.py:0273         UNNAMED   p_start| Wall time (seconds)                        :        83.68
-  parser_exciting.py:0273  coverageIgnore     g_ign|
-  parser_exciting.py:0274         UNNAMED   p_start| RMS change in effective potential (target) :  0.276958E-03  ( 0.100000E-05)
-  parser_exciting.py:0275         UNNAMED   p_start| Absolute change in total energy   (target) :  0.160405      ( 0.100000E-05)
-  parser_exciting.py:0276         UNNAMED   p_start| Charge distance                   (target) :  0.105341E-02  ( 0.100000E-04)
-  parser_exciting.py:0276  coverageIgnore     g_ign|
-  parser_exciting.py:0276         UNNAMED        no|++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
-  parser_exciting.py:0276       scfi totE   p_start|| SCF iteration number :    7                                                  +
-  parser_exciting.py:0276       scfi totE        no|++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
-  parser_exciting.py:0252         UNNAMED   p_start| Total energy                               :     -1271.69081382
-  parser_exciting.py:0252         UNNAMED        no| _______________________________________________________________
-  parser_exciting.py:0253         UNNAMED   p_start| Fermi energy                               :         0.41683794
-  parser_exciting.py:0254         UNNAMED   p_start| Kinetic energy                             :      1288.74099952
-  parser_exciting.py:0255         UNNAMED   p_start| Coulomb energy                             :     -2505.65173759
-  parser_exciting.py:0256         UNNAMED   p_start| Exchange energy                            :       -53.39600202
-  parser_exciting.py:0257         UNNAMED   p_start| Correlation energy                         :        -1.38407373
-  parser_exciting.py:0257         UNNAMED        no| No external B-field energy in total energy
-  parser_exciting.py:0257  coverageIgnore     g_ign|
-  parser_exciting.py:0268         UNNAMED   p_start| DOS at Fermi energy (states/Ha/cell)       :        26.55395465
-  parser_exciting.py:0268  coverageIgnore     g_ign|
-  parser_exciting.py:0268         UNNAMED        no| Electron charges :
-  parser_exciting.py:0268         UNNAMED        no|     core                                   :        10.00000000
-  parser_exciting.py:0269         UNNAMED   p_start|     core leakage                           :         0.00000000
-  parser_exciting.py:0269         UNNAMED        no|     valence                                :        16.00000000
-  parser_exciting.py:0270         UNNAMED   p_start|     interstitial                           :         1.81367914
-  parser_exciting.py:0270         UNNAMED        no|     charge in muffin-tin spheres :
-  parser_exciting.py:0270         UNNAMED        no|                  atom     1    Fe          :        24.18632086
-  parser_exciting.py:0271         UNNAMED   p_start|     total charge in muffin-tins            :        24.18632086
-  parser_exciting.py:0271         UNNAMED        no|     total charge                           :        26.00000000
-  parser_exciting.py:0271  coverageIgnore     g_ign|
-  parser_exciting.py:0271         UNNAMED        no| Moments :
-  parser_exciting.py:0271         UNNAMED        no|     interstitial                           :        -0.00708486
-  parser_exciting.py:0271         UNNAMED        no|     moment in muffin-tin spheres :
-  parser_exciting.py:0271         UNNAMED        no|                  atom     1    Fe          :         1.97050452
-  parser_exciting.py:0271         UNNAMED        no|     total moment in muffin-tins            :         1.97050452
-  parser_exciting.py:0271         UNNAMED        no|     total moment                           :         1.96341966
-  parser_exciting.py:0271  coverageIgnore     g_ign|
-  parser_exciting.py:0273         UNNAMED   p_start| Wall time (seconds)                        :        98.41
-  parser_exciting.py:0273  coverageIgnore     g_ign|
-  parser_exciting.py:0274         UNNAMED   p_start| RMS change in effective potential (target) :  0.650412E-03  ( 0.100000E-05)
-  parser_exciting.py:0275         UNNAMED   p_start| Absolute change in total energy   (target) :  0.520541E-01  ( 0.100000E-05)
-  parser_exciting.py:0276         UNNAMED   p_start| Charge distance                   (target) :  0.235576E-03  ( 0.100000E-04)
-  parser_exciting.py:0276  coverageIgnore     g_ign|
-  parser_exciting.py:0276         UNNAMED        no|++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
-  parser_exciting.py:0276       scfi totE   p_start|| SCF iteration number :    8                                                  +
-  parser_exciting.py:0276       scfi totE        no|++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
-  parser_exciting.py:0252         UNNAMED   p_start| Total energy                               :     -1271.64379954
-  parser_exciting.py:0252         UNNAMED        no| _______________________________________________________________
-  parser_exciting.py:0253         UNNAMED   p_start| Fermi energy                               :         0.41684604
-  parser_exciting.py:0254         UNNAMED   p_start| Kinetic energy                             :      1288.76289654
-  parser_exciting.py:0255         UNNAMED   p_start| Coulomb energy                             :     -2505.62812809
-  parser_exciting.py:0256         UNNAMED   p_start| Exchange energy                            :       -53.39457233
-  parser_exciting.py:0257         UNNAMED   p_start| Correlation energy                         :        -1.38399566
-  parser_exciting.py:0257         UNNAMED        no| No external B-field energy in total energy
-  parser_exciting.py:0257  coverageIgnore     g_ign|
-  parser_exciting.py:0268         UNNAMED   p_start| DOS at Fermi energy (states/Ha/cell)       :        26.10774453
-  parser_exciting.py:0268  coverageIgnore     g_ign|
-  parser_exciting.py:0268         UNNAMED        no| Electron charges :
-  parser_exciting.py:0268         UNNAMED        no|     core                                   :        10.00000000
-  parser_exciting.py:0269         UNNAMED   p_start|     core leakage                           :         0.00000000
-  parser_exciting.py:0269         UNNAMED        no|     valence                                :        16.00000000
-  parser_exciting.py:0270         UNNAMED   p_start|     interstitial                           :         1.81509436
-  parser_exciting.py:0270         UNNAMED        no|     charge in muffin-tin spheres :
-  parser_exciting.py:0270         UNNAMED        no|                  atom     1    Fe          :        24.18490564
-  parser_exciting.py:0271         UNNAMED   p_start|     total charge in muffin-tins            :        24.18490564
-  parser_exciting.py:0271         UNNAMED        no|     total charge                           :        26.00000000
-  parser_exciting.py:0271  coverageIgnore     g_ign|
-  parser_exciting.py:0271         UNNAMED        no| Moments :
-  parser_exciting.py:0271         UNNAMED        no|     interstitial                           :        -0.00924425
-  parser_exciting.py:0271         UNNAMED        no|     moment in muffin-tin spheres :
-  parser_exciting.py:0271         UNNAMED        no|                  atom     1    Fe          :         1.98610820
-  parser_exciting.py:0271         UNNAMED        no|     total moment in muffin-tins            :         1.98610820
-  parser_exciting.py:0271         UNNAMED        no|     total moment                           :         1.97686394
-  parser_exciting.py:0271  coverageIgnore     g_ign|
-  parser_exciting.py:0273         UNNAMED   p_start| Wall time (seconds)                        :       118.04
-  parser_exciting.py:0273  coverageIgnore     g_ign|
-  parser_exciting.py:0274         UNNAMED   p_start| RMS change in effective potential (target) :  0.287302E-04  ( 0.100000E-05)
-  parser_exciting.py:0275         UNNAMED   p_start| Absolute change in total energy   (target) :  0.470143E-01  ( 0.100000E-05)
-  parser_exciting.py:0276         UNNAMED   p_start| Charge distance                   (target) :  0.151857E-03  ( 0.100000E-04)
-  parser_exciting.py:0276  coverageIgnore     g_ign|
-  parser_exciting.py:0276         UNNAMED        no|++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
-  parser_exciting.py:0276       scfi totE   p_start|| SCF iteration number :    9                                                  +
-  parser_exciting.py:0276       scfi totE        no|++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
-  parser_exciting.py:0252         UNNAMED   p_start| Total energy                               :     -1271.64223729
-  parser_exciting.py:0252         UNNAMED        no| _______________________________________________________________
-  parser_exciting.py:0253         UNNAMED   p_start| Fermi energy                               :         0.41696722
-  parser_exciting.py:0254         UNNAMED   p_start| Kinetic energy                             :      1288.76363858
-  parser_exciting.py:0255         UNNAMED   p_start| Coulomb energy                             :     -2505.62757167
-  parser_exciting.py:0256         UNNAMED   p_start| Exchange energy                            :       -53.39429066
-  parser_exciting.py:0257         UNNAMED   p_start| Correlation energy                         :        -1.38401354
-  parser_exciting.py:0257         UNNAMED        no| No external B-field energy in total energy
-  parser_exciting.py:0257  coverageIgnore     g_ign|
-  parser_exciting.py:0268         UNNAMED   p_start| DOS at Fermi energy (states/Ha/cell)       :        26.20605152
-  parser_exciting.py:0268  coverageIgnore     g_ign|
-  parser_exciting.py:0268         UNNAMED        no| Electron charges :
-  parser_exciting.py:0268         UNNAMED        no|     core                                   :        10.00000000
-  parser_exciting.py:0269         UNNAMED   p_start|     core leakage                           :         0.00000000
-  parser_exciting.py:0269         UNNAMED        no|     valence                                :        16.00000000
-  parser_exciting.py:0270         UNNAMED   p_start|     interstitial                           :         1.81516782
-  parser_exciting.py:0270         UNNAMED        no|     charge in muffin-tin spheres :
-  parser_exciting.py:0270         UNNAMED        no|                  atom     1    Fe          :        24.18483218
-  parser_exciting.py:0271         UNNAMED   p_start|     total charge in muffin-tins            :        24.18483218
-  parser_exciting.py:0271         UNNAMED        no|     total charge                           :        26.00000000
-  parser_exciting.py:0271  coverageIgnore     g_ign|
-  parser_exciting.py:0271         UNNAMED        no| Moments :
-  parser_exciting.py:0271         UNNAMED        no|     interstitial                           :        -0.00908383
-  parser_exciting.py:0271         UNNAMED        no|     moment in muffin-tin spheres :
-  parser_exciting.py:0271         UNNAMED        no|                  atom     1    Fe          :         1.98220988
-  parser_exciting.py:0271         UNNAMED        no|     total moment in muffin-tins            :         1.98220988
-  parser_exciting.py:0271         UNNAMED        no|     total moment                           :         1.97312605
-  parser_exciting.py:0271  coverageIgnore     g_ign|
-  parser_exciting.py:0273         UNNAMED   p_start| Wall time (seconds)                        :       136.01
-  parser_exciting.py:0273  coverageIgnore     g_ign|
-  parser_exciting.py:0274         UNNAMED   p_start| RMS change in effective potential (target) :  0.190491E-04  ( 0.100000E-05)
-  parser_exciting.py:0275         UNNAMED   p_start| Absolute change in total energy   (target) :  0.156224E-02  ( 0.100000E-05)
-  parser_exciting.py:0276         UNNAMED   p_start| Charge distance                   (target) :  0.164283E-04  ( 0.100000E-04)
-  parser_exciting.py:0276  coverageIgnore     g_ign|
-  parser_exciting.py:0276         UNNAMED        no|++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
-  parser_exciting.py:0276       scfi totE   p_start|| SCF iteration number :   10                                                  +
-  parser_exciting.py:0276       scfi totE        no|++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
-  parser_exciting.py:0252         UNNAMED   p_start| Total energy                               :     -1271.64394874
-  parser_exciting.py:0252         UNNAMED        no| _______________________________________________________________
-  parser_exciting.py:0253         UNNAMED   p_start| Fermi energy                               :         0.41698676
-  parser_exciting.py:0254         UNNAMED   p_start| Kinetic energy                             :      1288.76299226
-  parser_exciting.py:0255         UNNAMED   p_start| Coulomb energy                             :     -2505.62859553
-  parser_exciting.py:0256         UNNAMED   p_start| Exchange energy                            :       -53.39432711
-  parser_exciting.py:0257         UNNAMED   p_start| Correlation energy                         :        -1.38401836
-  parser_exciting.py:0257         UNNAMED        no| No external B-field energy in total energy
-  parser_exciting.py:0257  coverageIgnore     g_ign|
-  parser_exciting.py:0268         UNNAMED   p_start| DOS at Fermi energy (states/Ha/cell)       :        26.23178097
-  parser_exciting.py:0268  coverageIgnore     g_ign|
-  parser_exciting.py:0268         UNNAMED        no| Electron charges :
-  parser_exciting.py:0268         UNNAMED        no|     core                                   :        10.00000000
-  parser_exciting.py:0269         UNNAMED   p_start|     core leakage                           :         0.00000000
-  parser_exciting.py:0269         UNNAMED        no|     valence                                :        16.00000000
-  parser_exciting.py:0270         UNNAMED   p_start|     interstitial                           :         1.81512267
-  parser_exciting.py:0270         UNNAMED        no|     charge in muffin-tin spheres :
-  parser_exciting.py:0270         UNNAMED        no|                  atom     1    Fe          :        24.18487733
-  parser_exciting.py:0271         UNNAMED   p_start|     total charge in muffin-tins            :        24.18487733
-  parser_exciting.py:0271         UNNAMED        no|     total charge                           :        26.00000000
-  parser_exciting.py:0271  coverageIgnore     g_ign|
-  parser_exciting.py:0271         UNNAMED        no| Moments :
-  parser_exciting.py:0271         UNNAMED        no|     interstitial                           :        -0.00911479
-  parser_exciting.py:0271         UNNAMED        no|     moment in muffin-tin spheres :
-  parser_exciting.py:0271         UNNAMED        no|                  atom     1    Fe          :         1.98118212
-  parser_exciting.py:0271         UNNAMED        no|     total moment in muffin-tins            :         1.98118212
-  parser_exciting.py:0271         UNNAMED        no|     total moment                           :         1.97206733
-  parser_exciting.py:0271  coverageIgnore     g_ign|
-  parser_exciting.py:0273         UNNAMED   p_start| Wall time (seconds)                        :       154.81
-  parser_exciting.py:0273  coverageIgnore     g_ign|
-  parser_exciting.py:0274         UNNAMED   p_start| RMS change in effective potential (target) :  0.668217E-05  ( 0.100000E-05)
-  parser_exciting.py:0275         UNNAMED   p_start| Absolute change in total energy   (target) :  0.171145E-02  ( 0.100000E-05)
-  parser_exciting.py:0276         UNNAMED   p_start| Charge distance                   (target) :  0.513363E-05  ( 0.100000E-04)
-  parser_exciting.py:0276  coverageIgnore     g_ign|
-  parser_exciting.py:0276         UNNAMED        no|++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
-  parser_exciting.py:0276       scfi totE   p_start|| SCF iteration number :   11                                                  +
-  parser_exciting.py:0276       scfi totE        no|++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
-  parser_exciting.py:0252         UNNAMED   p_start| Total energy                               :     -1271.64357726
-  parser_exciting.py:0252         UNNAMED        no| _______________________________________________________________
-  parser_exciting.py:0253         UNNAMED   p_start| Fermi energy                               :         0.41700504
-  parser_exciting.py:0254         UNNAMED   p_start| Kinetic energy                             :      1288.76310283
-  parser_exciting.py:0255         UNNAMED   p_start| Coulomb energy                             :     -2505.62838200
-  parser_exciting.py:0256         UNNAMED   p_start| Exchange energy                            :       -53.39427686
-  parser_exciting.py:0257         UNNAMED   p_start| Correlation energy                         :        -1.38402123
-  parser_exciting.py:0257         UNNAMED        no| No external B-field energy in total energy
-  parser_exciting.py:0257  coverageIgnore     g_ign|
-  parser_exciting.py:0268         UNNAMED   p_start| DOS at Fermi energy (states/Ha/cell)       :        26.25081925
-  parser_exciting.py:0268  coverageIgnore     g_ign|
-  parser_exciting.py:0268         UNNAMED        no| Electron charges :
-  parser_exciting.py:0268         UNNAMED        no|     core                                   :        10.00000000
-  parser_exciting.py:0269         UNNAMED   p_start|     core leakage                           :         0.00000000
-  parser_exciting.py:0269         UNNAMED        no|     valence                                :        16.00000000
-  parser_exciting.py:0270         UNNAMED   p_start|     interstitial                           :         1.81513411
-  parser_exciting.py:0270         UNNAMED        no|     charge in muffin-tin spheres :
-  parser_exciting.py:0270         UNNAMED        no|                  atom     1    Fe          :        24.18486589
-  parser_exciting.py:0271         UNNAMED   p_start|     total charge in muffin-tins            :        24.18486589
-  parser_exciting.py:0271         UNNAMED        no|     total charge                           :        26.00000000
-  parser_exciting.py:0271  coverageIgnore     g_ign|
-  parser_exciting.py:0271         UNNAMED        no| Moments :
-  parser_exciting.py:0271         UNNAMED        no|     interstitial                           :        -0.00910696
-  parser_exciting.py:0271         UNNAMED        no|     moment in muffin-tin spheres :
-  parser_exciting.py:0271         UNNAMED        no|                  atom     1    Fe          :         1.98055310
-  parser_exciting.py:0271         UNNAMED        no|     total moment in muffin-tins            :         1.98055310
-  parser_exciting.py:0271         UNNAMED        no|     total moment                           :         1.97144615
-  parser_exciting.py:0271  coverageIgnore     g_ign|
-  parser_exciting.py:0273         UNNAMED   p_start| Wall time (seconds)                        :       171.51
-  parser_exciting.py:0273  coverageIgnore     g_ign|
-  parser_exciting.py:0274         UNNAMED   p_start| RMS change in effective potential (target) :  0.166983E-05  ( 0.100000E-05)
-  parser_exciting.py:0275         UNNAMED   p_start| Absolute change in total energy   (target) :  0.371482E-03  ( 0.100000E-05)
-  parser_exciting.py:0276         UNNAMED   p_start| Charge distance                   (target) :  0.320718E-05  ( 0.100000E-04)
-  parser_exciting.py:0276  coverageIgnore     g_ign|
-  parser_exciting.py:0276         UNNAMED        no|++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
-  parser_exciting.py:0276       scfi totE   p_start|| SCF iteration number :   12                                                  +
-  parser_exciting.py:0276       scfi totE        no|++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
-  parser_exciting.py:0252         UNNAMED   p_start| Total energy                               :     -1271.64336092
-  parser_exciting.py:0252         UNNAMED        no| _______________________________________________________________
-  parser_exciting.py:0253         UNNAMED   p_start| Fermi energy                               :         0.41701243
-  parser_exciting.py:0254         UNNAMED   p_start| Kinetic energy                             :      1288.76317843
-  parser_exciting.py:0255         UNNAMED   p_start| Coulomb energy                             :     -2505.62826284
-  parser_exciting.py:0256         UNNAMED   p_start| Exchange energy                            :       -53.39425429
-  parser_exciting.py:0257         UNNAMED   p_start| Correlation energy                         :        -1.38402222
-  parser_exciting.py:0257         UNNAMED        no| No external B-field energy in total energy
-  parser_exciting.py:0257  coverageIgnore     g_ign|
-  parser_exciting.py:0268         UNNAMED   p_start| DOS at Fermi energy (states/Ha/cell)       :        26.25749116
-  parser_exciting.py:0268  coverageIgnore     g_ign|
-  parser_exciting.py:0268         UNNAMED        no| Electron charges :
-  parser_exciting.py:0268         UNNAMED        no|     core                                   :        10.00000000
-  parser_exciting.py:0269         UNNAMED   p_start|     core leakage                           :         0.00000000
-  parser_exciting.py:0269         UNNAMED        no|     valence                                :        16.00000000
-  parser_exciting.py:0270         UNNAMED   p_start|     interstitial                           :         1.81514166
-  parser_exciting.py:0270         UNNAMED        no|     charge in muffin-tin spheres :
-  parser_exciting.py:0270         UNNAMED        no|                  atom     1    Fe          :        24.18485834
-  parser_exciting.py:0271         UNNAMED   p_start|     total charge in muffin-tins            :        24.18485834
-  parser_exciting.py:0271         UNNAMED        no|     total charge                           :        26.00000000
-  parser_exciting.py:0271  coverageIgnore     g_ign|
-  parser_exciting.py:0271         UNNAMED        no| Moments :
-  parser_exciting.py:0271         UNNAMED        no|     interstitial                           :        -0.00911034
-  parser_exciting.py:0271         UNNAMED        no|     moment in muffin-tin spheres :
-  parser_exciting.py:0271         UNNAMED        no|                  atom     1    Fe          :         1.98033026
-  parser_exciting.py:0271         UNNAMED        no|     total moment in muffin-tins            :         1.98033026
-  parser_exciting.py:0271         UNNAMED        no|     total moment                           :         1.97121992
-  parser_exciting.py:0271  coverageIgnore     g_ign|
-  parser_exciting.py:0273         UNNAMED   p_start| Wall time (seconds)                        :       185.76
-  parser_exciting.py:0273  coverageIgnore     g_ign|
-  parser_exciting.py:0274         UNNAMED   p_start| RMS change in effective potential (target) :  0.109722E-05  ( 0.100000E-05)
-  parser_exciting.py:0275         UNNAMED   p_start| Absolute change in total energy   (target) :  0.216334E-03  ( 0.100000E-05)
-  parser_exciting.py:0276         UNNAMED   p_start| Charge distance                   (target) :  0.127473E-05  ( 0.100000E-04)
-  parser_exciting.py:0276  coverageIgnore     g_ign|
-  parser_exciting.py:0276         UNNAMED        no|++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
-  parser_exciting.py:0276       scfi totE   p_start|| SCF iteration number :   13                                                  +
-  parser_exciting.py:0276       scfi totE        no|++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
-  parser_exciting.py:0252         UNNAMED   p_start| Total energy                               :     -1271.64339388
-  parser_exciting.py:0252         UNNAMED        no| _______________________________________________________________
-  parser_exciting.py:0253         UNNAMED   p_start| Fermi energy                               :         0.41701512
-  parser_exciting.py:0254         UNNAMED   p_start| Kinetic energy                             :      1288.76316400
-  parser_exciting.py:0255         UNNAMED   p_start| Coulomb energy                             :     -2505.62828489
-  parser_exciting.py:0256         UNNAMED   p_start| Exchange energy                            :       -53.39425027
-  parser_exciting.py:0257         UNNAMED   p_start| Correlation energy                         :        -1.38402272
-  parser_exciting.py:0257         UNNAMED        no| No external B-field energy in total energy
-  parser_exciting.py:0257  coverageIgnore     g_ign|
-  parser_exciting.py:0268         UNNAMED   p_start| DOS at Fermi energy (states/Ha/cell)       :        26.26076615
-  parser_exciting.py:0268  coverageIgnore     g_ign|
-  parser_exciting.py:0268         UNNAMED        no| Electron charges :
-  parser_exciting.py:0268         UNNAMED        no|     core                                   :        10.00000000
-  parser_exciting.py:0269         UNNAMED   p_start|     core leakage                           :         0.00000000
-  parser_exciting.py:0269         UNNAMED        no|     valence                                :        16.00000000
-  parser_exciting.py:0270         UNNAMED   p_start|     interstitial                           :         1.81514143
-  parser_exciting.py:0270         UNNAMED        no|     charge in muffin-tin spheres :
-  parser_exciting.py:0270         UNNAMED        no|                  atom     1    Fe          :        24.18485857
-  parser_exciting.py:0271         UNNAMED   p_start|     total charge in muffin-tins            :        24.18485857
-  parser_exciting.py:0271         UNNAMED        no|     total charge                           :        26.00000000
-  parser_exciting.py:0271  coverageIgnore     g_ign|
-  parser_exciting.py:0271         UNNAMED        no| Moments :
-  parser_exciting.py:0271         UNNAMED        no|     interstitial                           :        -0.00911229
-  parser_exciting.py:0271         UNNAMED        no|     moment in muffin-tin spheres :
-  parser_exciting.py:0271         UNNAMED        no|                  atom     1    Fe          :         1.98022217
-  parser_exciting.py:0271         UNNAMED        no|     total moment in muffin-tins            :         1.98022217
-  parser_exciting.py:0271         UNNAMED        no|     total moment                           :         1.97110988
-  parser_exciting.py:0271  coverageIgnore     g_ign|
-  parser_exciting.py:0273         UNNAMED   p_start| Wall time (seconds)                        :       199.88
-  parser_exciting.py:0273  coverageIgnore     g_ign|
-  parser_exciting.py:0274         UNNAMED   p_start| RMS change in effective potential (target) :  0.531926E-06  ( 0.100000E-05)
-  parser_exciting.py:0275         UNNAMED   p_start| Absolute change in total energy   (target) :  0.329577E-04  ( 0.100000E-05)
-  parser_exciting.py:0276         UNNAMED   p_start| Charge distance                   (target) :  0.424361E-06  ( 0.100000E-04)
-  parser_exciting.py:0276  coverageIgnore     g_ign|
-  parser_exciting.py:0276         UNNAMED        no|++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
-  parser_exciting.py:0276       scfi totE   p_start|| SCF iteration number :   14                                                  +
-  parser_exciting.py:0276       scfi totE        no|++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
-  parser_exciting.py:0252         UNNAMED   p_start| Total energy                               :     -1271.64343169
-  parser_exciting.py:0252         UNNAMED        no| _______________________________________________________________
-  parser_exciting.py:0253         UNNAMED   p_start| Fermi energy                               :         0.41701649
-  parser_exciting.py:0254         UNNAMED   p_start| Kinetic energy                             :      1288.76314896
-  parser_exciting.py:0255         UNNAMED   p_start| Coulomb energy                             :     -2505.62830853
-  parser_exciting.py:0256         UNNAMED   p_start| Exchange energy                            :       -53.39424911
-  parser_exciting.py:0257         UNNAMED   p_start| Correlation energy                         :        -1.38402301
-  parser_exciting.py:0257         UNNAMED        no| No external B-field energy in total energy
-  parser_exciting.py:0257  coverageIgnore     g_ign|
-  parser_exciting.py:0268         UNNAMED   p_start| DOS at Fermi energy (states/Ha/cell)       :        26.26262128
-  parser_exciting.py:0268  coverageIgnore     g_ign|
-  parser_exciting.py:0268         UNNAMED        no| Electron charges :
-  parser_exciting.py:0268         UNNAMED        no|     core                                   :        10.00000000
-  parser_exciting.py:0269         UNNAMED   p_start|     core leakage                           :         0.00000000
-  parser_exciting.py:0269         UNNAMED        no|     valence                                :        16.00000000
-  parser_exciting.py:0270         UNNAMED   p_start|     interstitial                           :         1.81514051
-  parser_exciting.py:0270         UNNAMED        no|     charge in muffin-tin spheres :
-  parser_exciting.py:0270         UNNAMED        no|                  atom     1    Fe          :        24.18485949
-  parser_exciting.py:0271         UNNAMED   p_start|     total charge in muffin-tins            :        24.18485949
-  parser_exciting.py:0271         UNNAMED        no|     total charge                           :        26.00000000
-  parser_exciting.py:0271  coverageIgnore     g_ign|
-  parser_exciting.py:0271         UNNAMED        no| Moments :
-  parser_exciting.py:0271         UNNAMED        no|     interstitial                           :        -0.00911283
-  parser_exciting.py:0271         UNNAMED        no|     moment in muffin-tin spheres :
-  parser_exciting.py:0271         UNNAMED        no|                  atom     1    Fe          :         1.98015994
-  parser_exciting.py:0271         UNNAMED        no|     total moment in muffin-tins            :         1.98015994
-  parser_exciting.py:0271         UNNAMED        no|     total moment                           :         1.97104710
-  parser_exciting.py:0271  coverageIgnore     g_ign|
-  parser_exciting.py:0273         UNNAMED   p_start| Wall time (seconds)                        :       213.89
-  parser_exciting.py:0273  coverageIgnore     g_ign|
-  parser_exciting.py:0274         UNNAMED   p_start| RMS change in effective potential (target) :  0.530244E-07  ( 0.100000E-05)
-  parser_exciting.py:0275         UNNAMED   p_start| Absolute change in total energy   (target) :  0.378105E-04  ( 0.100000E-05)
-  parser_exciting.py:0276         UNNAMED   p_start| Charge distance                   (target) :  0.243743E-06  ( 0.100000E-04)
-  parser_exciting.py:0276  coverageIgnore     g_ign|
-  parser_exciting.py:0276         UNNAMED        no|++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
-  parser_exciting.py:0276       scfi totE   p_start|| SCF iteration number :   15                                                  +
-  parser_exciting.py:0276       scfi totE        no|++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
-  parser_exciting.py:0252         UNNAMED   p_start| Total energy                               :     -1271.64341746
-  parser_exciting.py:0252         UNNAMED        no| _______________________________________________________________
-  parser_exciting.py:0253         UNNAMED   p_start| Fermi energy                               :         0.41701703
-  parser_exciting.py:0254         UNNAMED   p_start| Kinetic energy                             :      1288.76315229
-  parser_exciting.py:0255         UNNAMED   p_start| Coulomb energy                             :     -2505.62829914
-  parser_exciting.py:0256         UNNAMED   p_start| Exchange energy                            :       -53.39424752
-  parser_exciting.py:0257         UNNAMED   p_start| Correlation energy                         :        -1.38402309
-  parser_exciting.py:0257         UNNAMED        no| No external B-field energy in total energy
-  parser_exciting.py:0257  coverageIgnore     g_ign|
-  parser_exciting.py:0268         UNNAMED   p_start| DOS at Fermi energy (states/Ha/cell)       :        26.26315117
-  parser_exciting.py:0268  coverageIgnore     g_ign|
-  parser_exciting.py:0268         UNNAMED        no| Electron charges :
-  parser_exciting.py:0268         UNNAMED        no|     core                                   :        10.00000000
-  parser_exciting.py:0269         UNNAMED   p_start|     core leakage                           :         0.00000000
-  parser_exciting.py:0269         UNNAMED        no|     valence                                :        16.00000000
-  parser_exciting.py:0270         UNNAMED   p_start|     interstitial                           :         1.81514099
-  parser_exciting.py:0270         UNNAMED        no|     charge in muffin-tin spheres :
-  parser_exciting.py:0270         UNNAMED        no|                  atom     1    Fe          :        24.18485901
-  parser_exciting.py:0271         UNNAMED   p_start|     total charge in muffin-tins            :        24.18485901
-  parser_exciting.py:0271         UNNAMED        no|     total charge                           :        26.00000000
-  parser_exciting.py:0271  coverageIgnore     g_ign|
-  parser_exciting.py:0271         UNNAMED        no| Moments :
-  parser_exciting.py:0271         UNNAMED        no|     interstitial                           :        -0.00911418
-  parser_exciting.py:0271         UNNAMED        no|     moment in muffin-tin spheres :
-  parser_exciting.py:0271         UNNAMED        no|                  atom     1    Fe          :         1.98014366
-  parser_exciting.py:0271         UNNAMED        no|     total moment in muffin-tins            :         1.98014366
-  parser_exciting.py:0271         UNNAMED        no|     total moment                           :         1.97102948
-  parser_exciting.py:0271  coverageIgnore     g_ign|
-  parser_exciting.py:0273         UNNAMED   p_start| Wall time (seconds)                        :       228.08
-  parser_exciting.py:0273  coverageIgnore     g_ign|
-  parser_exciting.py:0274         UNNAMED   p_start| RMS change in effective potential (target) :  0.169242E-06  ( 0.100000E-05)
-  parser_exciting.py:0275         UNNAMED   p_start| Absolute change in total energy   (target) :  0.142329E-04  ( 0.100000E-05)
-  parser_exciting.py:0276         UNNAMED   p_start| Charge distance                   (target) :  0.989976E-07  ( 0.100000E-04)
-  parser_exciting.py:0276  coverageIgnore     g_ign|
-  parser_exciting.py:0276         UNNAMED        no|++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
-  parser_exciting.py:0276       scfi totE   p_start|| SCF iteration number :   16                                                  +
-  parser_exciting.py:0276       scfi totE        no|++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
-  parser_exciting.py:0252         UNNAMED   p_start| Total energy                               :     -1271.64343207
-  parser_exciting.py:0252         UNNAMED        no| _______________________________________________________________
-  parser_exciting.py:0253         UNNAMED   p_start| Fermi energy                               :         0.41701753
-  parser_exciting.py:0254         UNNAMED   p_start| Kinetic energy                             :      1288.76314715
-  parser_exciting.py:0255         UNNAMED   p_start| Coulomb energy                             :     -2505.62830887
-  parser_exciting.py:0256         UNNAMED   p_start| Exchange energy                            :       -53.39424716
-  parser_exciting.py:0257         UNNAMED   p_start| Correlation energy                         :        -1.38402319
-  parser_exciting.py:0257         UNNAMED        no| No external B-field energy in total energy
-  parser_exciting.py:0257  coverageIgnore     g_ign|
-  parser_exciting.py:0268         UNNAMED   p_start| DOS at Fermi energy (states/Ha/cell)       :        26.26382348
-  parser_exciting.py:0268  coverageIgnore     g_ign|
-  parser_exciting.py:0268         UNNAMED        no| Electron charges :
-  parser_exciting.py:0268         UNNAMED        no|     core                                   :        10.00000000
-  parser_exciting.py:0269         UNNAMED   p_start|     core leakage                           :         0.00000000
-  parser_exciting.py:0269         UNNAMED        no|     valence                                :        16.00000000
-  parser_exciting.py:0270         UNNAMED   p_start|     interstitial                           :         1.81514062
-  parser_exciting.py:0270         UNNAMED        no|     charge in muffin-tin spheres :
-  parser_exciting.py:0270         UNNAMED        no|                  atom     1    Fe          :        24.18485938
-  parser_exciting.py:0271         UNNAMED   p_start|     total charge in muffin-tins            :        24.18485938
-  parser_exciting.py:0271         UNNAMED        no|     total charge                           :        26.00000000
-  parser_exciting.py:0271  coverageIgnore     g_ign|
-  parser_exciting.py:0271         UNNAMED        no| Moments :
-  parser_exciting.py:0271         UNNAMED        no|     interstitial                           :        -0.00911371
-  parser_exciting.py:0271         UNNAMED        no|     moment in muffin-tin spheres :
-  parser_exciting.py:0271         UNNAMED        no|                  atom     1    Fe          :         1.98012103
-  parser_exciting.py:0271         UNNAMED        no|     total moment in muffin-tins            :         1.98012103
-  parser_exciting.py:0271         UNNAMED        no|     total moment                           :         1.97100732
-  parser_exciting.py:0271  coverageIgnore     g_ign|
-  parser_exciting.py:0273         UNNAMED   p_start| Wall time (seconds)                        :       242.20
-  parser_exciting.py:0273  coverageIgnore     g_ign|
-  parser_exciting.py:0274         UNNAMED   p_start| RMS change in effective potential (target) :  0.743202E-07  ( 0.100000E-05)
-  parser_exciting.py:0275         UNNAMED   p_start| Absolute change in total energy   (target) :  0.146096E-04  ( 0.100000E-05)
-  parser_exciting.py:0276         UNNAMED   p_start| Charge distance                   (target) :  0.892957E-07  ( 0.100000E-04)
-  parser_exciting.py:0276  coverageIgnore     g_ign|
-  parser_exciting.py:0276         UNNAMED        no|++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
-  parser_exciting.py:0276       scfi totE   p_start|| SCF iteration number :   17                                                  +
-  parser_exciting.py:0276       scfi totE        no|++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
-  parser_exciting.py:0252         UNNAMED   p_start| Total energy                               :     -1271.64342376
-  parser_exciting.py:0252         UNNAMED        no| _______________________________________________________________
-  parser_exciting.py:0253         UNNAMED   p_start| Fermi energy                               :         0.41701760
-  parser_exciting.py:0254         UNNAMED   p_start| Kinetic energy                             :      1288.76314976
-  parser_exciting.py:0255         UNNAMED   p_start| Coulomb energy                             :     -2505.62830356
-  parser_exciting.py:0256         UNNAMED   p_start| Exchange energy                            :       -53.39424677
-  parser_exciting.py:0257         UNNAMED   p_start| Correlation energy                         :        -1.38402319
-  parser_exciting.py:0257         UNNAMED        no| No external B-field energy in total energy
-  parser_exciting.py:0257  coverageIgnore     g_ign|
-  parser_exciting.py:0268         UNNAMED   p_start| DOS at Fermi energy (states/Ha/cell)       :        26.26383687
-  parser_exciting.py:0268  coverageIgnore     g_ign|
-  parser_exciting.py:0268         UNNAMED        no| Electron charges :
-  parser_exciting.py:0268         UNNAMED        no|     core                                   :        10.00000000
-  parser_exciting.py:0269         UNNAMED   p_start|     core leakage                           :         0.00000000
-  parser_exciting.py:0269         UNNAMED        no|     valence                                :        16.00000000
-  parser_exciting.py:0270         UNNAMED   p_start|     interstitial                           :         1.81514084
-  parser_exciting.py:0270         UNNAMED        no|     charge in muffin-tin spheres :
-  parser_exciting.py:0270         UNNAMED        no|                  atom     1    Fe          :        24.18485916
-  parser_exciting.py:0271         UNNAMED   p_start|     total charge in muffin-tins            :        24.18485916
-  parser_exciting.py:0271         UNNAMED        no|     total charge                           :        26.00000000
-  parser_exciting.py:0271  coverageIgnore     g_ign|
-  parser_exciting.py:0271         UNNAMED        no| Moments :
-  parser_exciting.py:0271         UNNAMED        no|     interstitial                           :        -0.00911437
-  parser_exciting.py:0271         UNNAMED        no|     moment in muffin-tin spheres :
-  parser_exciting.py:0271         UNNAMED        no|                  atom     1    Fe          :         1.98012158
-  parser_exciting.py:0271         UNNAMED        no|     total moment in muffin-tins            :         1.98012158
-  parser_exciting.py:0271         UNNAMED        no|     total moment                           :         1.97100721
-  parser_exciting.py:0271  coverageIgnore     g_ign|
-  parser_exciting.py:0273         UNNAMED   p_start| Wall time (seconds)                        :       256.33
-  parser_exciting.py:0273  coverageIgnore     g_ign|
-  parser_exciting.py:0274         UNNAMED   p_start| RMS change in effective potential (target) :  0.554303E-07  ( 0.100000E-05)
-  parser_exciting.py:0275         UNNAMED   p_start| Absolute change in total energy   (target) :  0.830837E-05  ( 0.100000E-05)
-  parser_exciting.py:0276         UNNAMED   p_start| Charge distance                   (target) :  0.249115E-07  ( 0.100000E-04)
-  parser_exciting.py:0276  coverageIgnore     g_ign|
-  parser_exciting.py:0276         UNNAMED        no|++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
-  parser_exciting.py:0276       scfi totE   p_start|| SCF iteration number :   18                                                  +
-  parser_exciting.py:0276       scfi totE        no|++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
-  parser_exciting.py:0252         UNNAMED   p_start| Total energy                               :     -1271.64342595
-  parser_exciting.py:0252         UNNAMED        no| _______________________________________________________________
-  parser_exciting.py:0253         UNNAMED   p_start| Fermi energy                               :         0.41701775
-  parser_exciting.py:0254         UNNAMED   p_start| Kinetic energy                             :      1288.76314887
-  parser_exciting.py:0255         UNNAMED   p_start| Coulomb energy                             :     -2505.62830509
-  parser_exciting.py:0256         UNNAMED   p_start| Exchange energy                            :       -53.39424651
-  parser_exciting.py:0257         UNNAMED   p_start| Correlation energy                         :        -1.38402322
-  parser_exciting.py:0257         UNNAMED        no| No external B-field energy in total energy
-  parser_exciting.py:0257  coverageIgnore     g_ign|
-  parser_exciting.py:0268         UNNAMED   p_start| DOS at Fermi energy (states/Ha/cell)       :        26.26403535
-  parser_exciting.py:0268  coverageIgnore     g_ign|
-  parser_exciting.py:0268         UNNAMED        no| Electron charges :
-  parser_exciting.py:0268         UNNAMED        no|     core                                   :        10.00000000
-  parser_exciting.py:0269         UNNAMED   p_start|     core leakage                           :         0.00000000
-  parser_exciting.py:0269         UNNAMED        no|     valence                                :        16.00000000
-  parser_exciting.py:0270         UNNAMED   p_start|     interstitial                           :         1.81514083
-  parser_exciting.py:0270         UNNAMED        no|     charge in muffin-tin spheres :
-  parser_exciting.py:0270         UNNAMED        no|                  atom     1    Fe          :        24.18485917
-  parser_exciting.py:0271         UNNAMED   p_start|     total charge in muffin-tins            :        24.18485917
-  parser_exciting.py:0271         UNNAMED        no|     total charge                           :        26.00000000
-  parser_exciting.py:0271  coverageIgnore     g_ign|
-  parser_exciting.py:0271         UNNAMED        no| Moments :
-  parser_exciting.py:0271         UNNAMED        no|     interstitial                           :        -0.00911416
-  parser_exciting.py:0271         UNNAMED        no|     moment in muffin-tin spheres :
-  parser_exciting.py:0271         UNNAMED        no|                  atom     1    Fe          :         1.98011456
-  parser_exciting.py:0271         UNNAMED        no|     total moment in muffin-tins            :         1.98011456
-  parser_exciting.py:0271         UNNAMED        no|     total moment                           :         1.97100040
-  parser_exciting.py:0271  coverageIgnore     g_ign|
-  parser_exciting.py:0273         UNNAMED   p_start| Wall time (seconds)                        :       270.43
-  parser_exciting.py:0273  coverageIgnore     g_ign|
-  parser_exciting.py:0274         UNNAMED   p_start| RMS change in effective potential (target) :  0.112826E-07  ( 0.100000E-05)
-  parser_exciting.py:0275         UNNAMED   p_start| Absolute change in total energy   (target) :  0.219366E-05  ( 0.100000E-05)
-  parser_exciting.py:0276         UNNAMED   p_start| Charge distance                   (target) :  0.272097E-07  ( 0.100000E-04)
-  parser_exciting.py:0276  coverageIgnore     g_ign|
-  parser_exciting.py:0276         UNNAMED        no|++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
-  parser_exciting.py:0276       scfi totE   p_start|| SCF iteration number :   19                                                  +
-  parser_exciting.py:0276       scfi totE        no|++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
-  parser_exciting.py:0252         UNNAMED   p_start| Total energy                               :     -1271.64342563
-  parser_exciting.py:0252         UNNAMED        no| _______________________________________________________________
-  parser_exciting.py:0253         UNNAMED   p_start| Fermi energy                               :         0.41701777
-  parser_exciting.py:0254         UNNAMED   p_start| Kinetic energy                             :      1288.76314892
-  parser_exciting.py:0255         UNNAMED   p_start| Coulomb energy                             :     -2505.62830487
-  parser_exciting.py:0256         UNNAMED   p_start| Exchange energy                            :       -53.39424646
-  parser_exciting.py:0257         UNNAMED   p_start| Correlation energy                         :        -1.38402322
-  parser_exciting.py:0257         UNNAMED        no| No external B-field energy in total energy
-  parser_exciting.py:0257  coverageIgnore     g_ign|
-  parser_exciting.py:0268         UNNAMED   p_start| DOS at Fermi energy (states/Ha/cell)       :        26.26405761
-  parser_exciting.py:0268  coverageIgnore     g_ign|
-  parser_exciting.py:0268         UNNAMED        no| Electron charges :
-  parser_exciting.py:0268         UNNAMED        no|     core                                   :        10.00000000
-  parser_exciting.py:0269         UNNAMED   p_start|     core leakage                           :         0.00000000
-  parser_exciting.py:0269         UNNAMED        no|     valence                                :        16.00000000
-  parser_exciting.py:0270         UNNAMED   p_start|     interstitial                           :         1.81514084
-  parser_exciting.py:0270         UNNAMED        no|     charge in muffin-tin spheres :
-  parser_exciting.py:0270         UNNAMED        no|                  atom     1    Fe          :        24.18485916
-  parser_exciting.py:0271         UNNAMED   p_start|     total charge in muffin-tins            :        24.18485916
-  parser_exciting.py:0271         UNNAMED        no|     total charge                           :        26.00000000
-  parser_exciting.py:0271  coverageIgnore     g_ign|
-  parser_exciting.py:0271         UNNAMED        no| Moments :
-  parser_exciting.py:0271         UNNAMED        no|     interstitial                           :        -0.00911427
-  parser_exciting.py:0271         UNNAMED        no|     moment in muffin-tin spheres :
-  parser_exciting.py:0271         UNNAMED        no|                  atom     1    Fe          :         1.98011396
-  parser_exciting.py:0271         UNNAMED        no|     total moment in muffin-tins            :         1.98011396
-  parser_exciting.py:0271         UNNAMED        no|     total moment                           :         1.97099968
-  parser_exciting.py:0271  coverageIgnore     g_ign|
-  parser_exciting.py:0273         UNNAMED   p_start| Wall time (seconds)                        :       284.50
-  parser_exciting.py:0273  coverageIgnore     g_ign|
-  parser_exciting.py:0274         UNNAMED   p_start| RMS change in effective potential (target) :  0.165129E-07  ( 0.100000E-05)
-  parser_exciting.py:0275         UNNAMED   p_start| Absolute change in total energy   (target) :  0.324016E-06  ( 0.100000E-05)
-  parser_exciting.py:0276         UNNAMED   p_start| Charge distance                   (target) :  0.335814E-08  ( 0.100000E-04)
-  parser_exciting.py:0276  coverageIgnore     g_ign|
-  parser_exciting.py:0276         UNNAMED        no|++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
-  parser_exciting.py:0276       scfi totE   p_start|| SCF iteration number :   20                                                  +
-  parser_exciting.py:0276       scfi totE        no|++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
-  parser_exciting.py:0252         UNNAMED   p_start| Total energy                               :     -1271.64342364
-  parser_exciting.py:0252         UNNAMED        no| _______________________________________________________________
-  parser_exciting.py:0253         UNNAMED   p_start| Fermi energy                               :         0.41701778
-  parser_exciting.py:0254         UNNAMED   p_start| Kinetic energy                             :      1288.76314949
-  parser_exciting.py:0255         UNNAMED   p_start| Coulomb energy                             :     -2505.62830364
-  parser_exciting.py:0256         UNNAMED   p_start| Exchange energy                            :       -53.39424626
-  parser_exciting.py:0257         UNNAMED   p_start| Correlation energy                         :        -1.38402323
-  parser_exciting.py:0257         UNNAMED        no| No external B-field energy in total energy
-  parser_exciting.py:0257  coverageIgnore     g_ign|
-  parser_exciting.py:0268         UNNAMED   p_start| DOS at Fermi energy (states/Ha/cell)       :        26.26407994
-  parser_exciting.py:0268  coverageIgnore     g_ign|
-  parser_exciting.py:0268         UNNAMED        no| Electron charges :
-  parser_exciting.py:0268         UNNAMED        no|     core                                   :        10.00000000
-  parser_exciting.py:0269         UNNAMED   p_start|     core leakage                           :         0.00000000
-  parser_exciting.py:0269         UNNAMED        no|     valence                                :        16.00000000
-  parser_exciting.py:0270         UNNAMED   p_start|     interstitial                           :         1.81514095
-  parser_exciting.py:0270         UNNAMED        no|     charge in muffin-tin spheres :
-  parser_exciting.py:0270         UNNAMED        no|                  atom     1    Fe          :        24.18485905
-  parser_exciting.py:0271         UNNAMED   p_start|     total charge in muffin-tins            :        24.18485905
-  parser_exciting.py:0271         UNNAMED        no|     total charge                           :        26.00000000
-  parser_exciting.py:0271  coverageIgnore     g_ign|
-  parser_exciting.py:0271         UNNAMED        no| Moments :
-  parser_exciting.py:0271         UNNAMED        no|     interstitial                           :        -0.00911428
-  parser_exciting.py:0271         UNNAMED        no|     moment in muffin-tin spheres :
-  parser_exciting.py:0271         UNNAMED        no|                  atom     1    Fe          :         1.98011281
-  parser_exciting.py:0271         UNNAMED        no|     total moment in muffin-tins            :         1.98011281
-  parser_exciting.py:0271         UNNAMED        no|     total moment                           :         1.97099853
-  parser_exciting.py:0271  coverageIgnore     g_ign|
-  parser_exciting.py:0273         UNNAMED   p_start| Wall time (seconds)                        :       298.58
-  parser_exciting.py:0273  coverageIgnore     g_ign|
-  parser_exciting.py:0274         UNNAMED   p_start| RMS change in effective potential (target) :  0.433272E-07  ( 0.100000E-05)
-  parser_exciting.py:0275         UNNAMED   p_start| Absolute change in total energy   (target) :  0.199148E-05  ( 0.100000E-05)
-  parser_exciting.py:0276         UNNAMED   p_start| Charge distance                   (target) :  0.137431E-07  ( 0.100000E-04)
-  parser_exciting.py:0276  coverageIgnore     g_ign|
-  parser_exciting.py:0276         UNNAMED        no|++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
-  parser_exciting.py:0276       scfi totE   p_start|| SCF iteration number :   21                                                  +
-  parser_exciting.py:0276       scfi totE        no|++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
-  parser_exciting.py:0252         UNNAMED   p_start| Total energy                               :     -1271.64342528
-  parser_exciting.py:0252         UNNAMED        no| _______________________________________________________________
-  parser_exciting.py:0253         UNNAMED   p_start| Fermi energy                               :         0.41701780
-  parser_exciting.py:0254         UNNAMED   p_start| Kinetic energy                             :      1288.76314899
-  parser_exciting.py:0255         UNNAMED   p_start| Coulomb energy                             :     -2505.62830467
-  parser_exciting.py:0256         UNNAMED   p_start| Exchange energy                            :       -53.39424637
-  parser_exciting.py:0257         UNNAMED   p_start| Correlation energy                         :        -1.38402323
-  parser_exciting.py:0257         UNNAMED        no| No external B-field energy in total energy
-  parser_exciting.py:0257  coverageIgnore     g_ign|
-  parser_exciting.py:0268         UNNAMED   p_start| DOS at Fermi energy (states/Ha/cell)       :        26.26409465
-  parser_exciting.py:0268  coverageIgnore     g_ign|
-  parser_exciting.py:0268         UNNAMED        no| Electron charges :
-  parser_exciting.py:0268         UNNAMED        no|     core                                   :        10.00000000
-  parser_exciting.py:0269         UNNAMED   p_start|     core leakage                           :         0.00000000
-  parser_exciting.py:0269         UNNAMED        no|     valence                                :        16.00000000
-  parser_exciting.py:0270         UNNAMED   p_start|     interstitial                           :         1.81514086
-  parser_exciting.py:0270         UNNAMED        no|     charge in muffin-tin spheres :
-  parser_exciting.py:0270         UNNAMED        no|                  atom     1    Fe          :        24.18485914
-  parser_exciting.py:0271         UNNAMED   p_start|     total charge in muffin-tins            :        24.18485914
-  parser_exciting.py:0271         UNNAMED        no|     total charge                           :        26.00000000
-  parser_exciting.py:0271  coverageIgnore     g_ign|
-  parser_exciting.py:0271         UNNAMED        no| Moments :
-  parser_exciting.py:0271         UNNAMED        no|     interstitial                           :        -0.00911430
-  parser_exciting.py:0271         UNNAMED        no|     moment in muffin-tin spheres :
-  parser_exciting.py:0271         UNNAMED        no|                  atom     1    Fe          :         1.98011265
-  parser_exciting.py:0271         UNNAMED        no|     total moment in muffin-tins            :         1.98011265
-  parser_exciting.py:0271         UNNAMED        no|     total moment                           :         1.97099836
-  parser_exciting.py:0271  coverageIgnore     g_ign|
-  parser_exciting.py:0273         UNNAMED   p_start| Wall time (seconds)                        :       312.70
-  parser_exciting.py:0273  coverageIgnore     g_ign|
-  parser_exciting.py:0274         UNNAMED   p_start| RMS change in effective potential (target) :  0.198928E-07  ( 0.100000E-05)
-  parser_exciting.py:0275         UNNAMED   p_start| Absolute change in total energy   (target) :  0.164224E-05  ( 0.100000E-05)
-  parser_exciting.py:0276         UNNAMED   p_start| Charge distance                   (target) :  0.857162E-08  ( 0.100000E-04)
-  parser_exciting.py:0276  coverageIgnore     g_ign|
-  parser_exciting.py:0276         UNNAMED        no|++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
-  parser_exciting.py:0276       scfi totE   p_start|| SCF iteration number :   22                                                  +
-  parser_exciting.py:0276       scfi totE        no|++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
-  parser_exciting.py:0252         UNNAMED   p_start| Total energy                               :     -1271.64342325
-  parser_exciting.py:0252         UNNAMED        no| _______________________________________________________________
-  parser_exciting.py:0253         UNNAMED   p_start| Fermi energy                               :         0.41701780
-  parser_exciting.py:0254         UNNAMED   p_start| Kinetic energy                             :      1288.76314962
-  parser_exciting.py:0255         UNNAMED   p_start| Coulomb energy                             :     -2505.62830341
-  parser_exciting.py:0256         UNNAMED   p_start| Exchange energy                            :       -53.39424623
-  parser_exciting.py:0257         UNNAMED   p_start| Correlation energy                         :        -1.38402323
-  parser_exciting.py:0257         UNNAMED        no| No external B-field energy in total energy
-  parser_exciting.py:0257  coverageIgnore     g_ign|
-  parser_exciting.py:0268         UNNAMED   p_start| DOS at Fermi energy (states/Ha/cell)       :        26.26409342
-  parser_exciting.py:0268  coverageIgnore     g_ign|
-  parser_exciting.py:0268         UNNAMED        no| Electron charges :
-  parser_exciting.py:0268         UNNAMED        no|     core                                   :        10.00000000
-  parser_exciting.py:0269         UNNAMED   p_start|     core leakage                           :         0.00000000
-  parser_exciting.py:0269         UNNAMED        no|     valence                                :        16.00000000
-  parser_exciting.py:0270         UNNAMED   p_start|     interstitial                           :         1.81514096
-  parser_exciting.py:0270         UNNAMED        no|     charge in muffin-tin spheres :
-  parser_exciting.py:0270         UNNAMED        no|                  atom     1    Fe          :        24.18485904
-  parser_exciting.py:0271         UNNAMED   p_start|     total charge in muffin-tins            :        24.18485904
-  parser_exciting.py:0271         UNNAMED        no|     total charge                           :        26.00000000
-  parser_exciting.py:0271  coverageIgnore     g_ign|
-  parser_exciting.py:0271         UNNAMED        no| Moments :
-  parser_exciting.py:0271         UNNAMED        no|     interstitial                           :        -0.00911431
-  parser_exciting.py:0271         UNNAMED        no|     moment in muffin-tin spheres :
-  parser_exciting.py:0271         UNNAMED        no|                  atom     1    Fe          :         1.98011244
-  parser_exciting.py:0271         UNNAMED        no|     total moment in muffin-tins            :         1.98011244
-  parser_exciting.py:0271         UNNAMED        no|     total moment                           :         1.97099813
-  parser_exciting.py:0271  coverageIgnore     g_ign|
-  parser_exciting.py:0273         UNNAMED   p_start| Wall time (seconds)                        :       326.83
-  parser_exciting.py:0273  coverageIgnore     g_ign|
-  parser_exciting.py:0274         UNNAMED   p_start| RMS change in effective potential (target) :  0.484997E-07  ( 0.100000E-05)
-  parser_exciting.py:0275         UNNAMED   p_start| Absolute change in total energy   (target) :  0.203138E-05  ( 0.100000E-05)
-  parser_exciting.py:0276         UNNAMED   p_start| Charge distance                   (target) :  0.994384E-08  ( 0.100000E-04)
-  parser_exciting.py:0276  coverageIgnore     g_ign|
-  parser_exciting.py:0276         UNNAMED        no|++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
-  parser_exciting.py:0276       scfi totE   p_start|| SCF iteration number :   23                                                  +
-  parser_exciting.py:0276       scfi totE        no|++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
-  parser_exciting.py:0252         UNNAMED   p_start| Total energy                               :     -1271.64342752
-  parser_exciting.py:0252         UNNAMED        no| _______________________________________________________________
-  parser_exciting.py:0253         UNNAMED   p_start| Fermi energy                               :         0.41701782
-  parser_exciting.py:0254         UNNAMED   p_start| Kinetic energy                             :      1288.76314826
-  parser_exciting.py:0255         UNNAMED   p_start| Coulomb energy                             :     -2505.62830605
-  parser_exciting.py:0256         UNNAMED   p_start| Exchange energy                            :       -53.39424650
-  parser_exciting.py:0257         UNNAMED   p_start| Correlation energy                         :        -1.38402323
-  parser_exciting.py:0257         UNNAMED        no| No external B-field energy in total energy
-  parser_exciting.py:0257  coverageIgnore     g_ign|
-  parser_exciting.py:0268         UNNAMED   p_start| DOS at Fermi energy (states/Ha/cell)       :        26.26411345
-  parser_exciting.py:0268  coverageIgnore     g_ign|
-  parser_exciting.py:0268         UNNAMED        no| Electron charges :
-  parser_exciting.py:0268         UNNAMED        no|     core                                   :        10.00000000
-  parser_exciting.py:0269         UNNAMED   p_start|     core leakage                           :         0.00000000
-  parser_exciting.py:0269         UNNAMED        no|     valence                                :        16.00000000
-  parser_exciting.py:0270         UNNAMED   p_start|     interstitial                           :         1.81514076
-  parser_exciting.py:0270         UNNAMED        no|     charge in muffin-tin spheres :
-  parser_exciting.py:0270         UNNAMED        no|                  atom     1    Fe          :        24.18485924
-  parser_exciting.py:0271         UNNAMED   p_start|     total charge in muffin-tins            :        24.18485924
-  parser_exciting.py:0271         UNNAMED        no|     total charge                           :        26.00000000
-  parser_exciting.py:0271  coverageIgnore     g_ign|
-  parser_exciting.py:0271         UNNAMED        no| Moments :
-  parser_exciting.py:0271         UNNAMED        no|     interstitial                           :        -0.00911429
-  parser_exciting.py:0271         UNNAMED        no|     moment in muffin-tin spheres :
-  parser_exciting.py:0271         UNNAMED        no|                  atom     1    Fe          :         1.98011236
-  parser_exciting.py:0271         UNNAMED        no|     total moment in muffin-tins            :         1.98011236
-  parser_exciting.py:0271         UNNAMED        no|     total moment                           :         1.97099807
-  parser_exciting.py:0271  coverageIgnore     g_ign|
-  parser_exciting.py:0273         UNNAMED   p_start| Wall time (seconds)                        :       340.92
-  parser_exciting.py:0273  coverageIgnore     g_ign|
-  parser_exciting.py:0274         UNNAMED   p_start| RMS change in effective potential (target) :  0.122868E-07  ( 0.100000E-05)
-  parser_exciting.py:0275         UNNAMED   p_start| Absolute change in total energy   (target) :  0.426993E-05  ( 0.100000E-05)
-  parser_exciting.py:0276         UNNAMED   p_start| Charge distance                   (target) :  0.203551E-07  ( 0.100000E-04)
-  parser_exciting.py:0276  coverageIgnore     g_ign|
-  parser_exciting.py:0276         UNNAMED        no|++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
-  parser_exciting.py:0276       scfi totE   p_start|| SCF iteration number :   24                                                  +
-  parser_exciting.py:0276       scfi totE        no|++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
-  parser_exciting.py:0252         UNNAMED   p_start| Total energy                               :     -1271.64342626
-  parser_exciting.py:0252         UNNAMED        no| _______________________________________________________________
-  parser_exciting.py:0253         UNNAMED   p_start| Fermi energy                               :         0.41701782
-  parser_exciting.py:0254         UNNAMED   p_start| Kinetic energy                             :      1288.76314865
-  parser_exciting.py:0255         UNNAMED   p_start| Coulomb energy                             :     -2505.62830528
-  parser_exciting.py:0256         UNNAMED   p_start| Exchange energy                            :       -53.39424640
-  parser_exciting.py:0257         UNNAMED   p_start| Correlation energy                         :        -1.38402323
-  parser_exciting.py:0257         UNNAMED        no| No external B-field energy in total energy
-  parser_exciting.py:0257  coverageIgnore     g_ign|
-  parser_exciting.py:0268         UNNAMED   p_start| DOS at Fermi energy (states/Ha/cell)       :        26.26411536
-  parser_exciting.py:0268  coverageIgnore     g_ign|
-  parser_exciting.py:0268         UNNAMED        no| Electron charges :
-  parser_exciting.py:0268         UNNAMED        no|     core                                   :        10.00000000
-  parser_exciting.py:0269         UNNAMED   p_start|     core leakage                           :         0.00000000
-  parser_exciting.py:0269         UNNAMED        no|     valence                                :        16.00000000
-  parser_exciting.py:0270         UNNAMED   p_start|     interstitial                           :         1.81514082
-  parser_exciting.py:0270         UNNAMED        no|     charge in muffin-tin spheres :
-  parser_exciting.py:0270         UNNAMED        no|                  atom     1    Fe          :        24.18485918
-  parser_exciting.py:0271         UNNAMED   p_start|     total charge in muffin-tins            :        24.18485918
-  parser_exciting.py:0271         UNNAMED        no|     total charge                           :        26.00000000
-  parser_exciting.py:0271  coverageIgnore     g_ign|
-  parser_exciting.py:0271         UNNAMED        no| Moments :
-  parser_exciting.py:0271         UNNAMED        no|     interstitial                           :        -0.00911428
-  parser_exciting.py:0271         UNNAMED        no|     moment in muffin-tin spheres :
-  parser_exciting.py:0271         UNNAMED        no|                  atom     1    Fe          :         1.98011209
-  parser_exciting.py:0271         UNNAMED        no|     total moment in muffin-tins            :         1.98011209
-  parser_exciting.py:0271         UNNAMED        no|     total moment                           :         1.97099781
-  parser_exciting.py:0271  coverageIgnore     g_ign|
-  parser_exciting.py:0273         UNNAMED   p_start| Wall time (seconds)                        :       354.95
-  parser_exciting.py:0273  coverageIgnore     g_ign|
-  parser_exciting.py:0274         UNNAMED   p_start| RMS change in effective potential (target) :  0.584095E-08  ( 0.100000E-05)
-  parser_exciting.py:0275         UNNAMED   p_start| Absolute change in total energy   (target) :  0.125586E-05  ( 0.100000E-05)
-  parser_exciting.py:0276         UNNAMED   p_start| Charge distance                   (target) :  0.659101E-08  ( 0.100000E-04)
-  parser_exciting.py:0276  coverageIgnore     g_ign|
-  parser_exciting.py:0276         UNNAMED        no|++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
-  parser_exciting.py:0276       scfi totE   p_start|| SCF iteration number :   25                                                  +
-  parser_exciting.py:0276       scfi totE        no|++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
-  parser_exciting.py:0252         UNNAMED   p_start| Total energy                               :     -1271.64342619
-  parser_exciting.py:0252         UNNAMED        no| _______________________________________________________________
-  parser_exciting.py:0253         UNNAMED   p_start| Fermi energy                               :         0.41701782
-  parser_exciting.py:0254         UNNAMED   p_start| Kinetic energy                             :      1288.76314866
-  parser_exciting.py:0255         UNNAMED   p_start| Coulomb energy                             :     -2505.62830522
-  parser_exciting.py:0256         UNNAMED   p_start| Exchange energy                            :       -53.39424640
-  parser_exciting.py:0257         UNNAMED   p_start| Correlation energy                         :        -1.38402323
-  parser_exciting.py:0257         UNNAMED        no| No external B-field energy in total energy
-  parser_exciting.py:0257  coverageIgnore     g_ign|
-  parser_exciting.py:0268         UNNAMED   p_start| DOS at Fermi energy (states/Ha/cell)       :        26.26411497
-  parser_exciting.py:0268  coverageIgnore     g_ign|
-  parser_exciting.py:0268         UNNAMED        no| Electron charges :
-  parser_exciting.py:0268         UNNAMED        no|     core                                   :        10.00000000
-  parser_exciting.py:0269         UNNAMED   p_start|     core leakage                           :         0.00000000
-  parser_exciting.py:0269         UNNAMED        no|     valence                                :        16.00000000
-  parser_exciting.py:0270         UNNAMED   p_start|     interstitial                           :         1.81514082
-  parser_exciting.py:0270         UNNAMED        no|     charge in muffin-tin spheres :
-  parser_exciting.py:0270         UNNAMED        no|                  atom     1    Fe          :        24.18485918
-  parser_exciting.py:0271         UNNAMED   p_start|     total charge in muffin-tins            :        24.18485918
-  parser_exciting.py:0271         UNNAMED        no|     total charge                           :        26.00000000
-  parser_exciting.py:0271  coverageIgnore     g_ign|
-  parser_exciting.py:0271         UNNAMED        no| Moments :
-  parser_exciting.py:0271         UNNAMED        no|     interstitial                           :        -0.00911428
-  parser_exciting.py:0271         UNNAMED        no|     moment in muffin-tin spheres :
-  parser_exciting.py:0271         UNNAMED        no|                  atom     1    Fe          :         1.98011211
-  parser_exciting.py:0271         UNNAMED        no|     total moment in muffin-tins            :         1.98011211
-  parser_exciting.py:0271         UNNAMED        no|     total moment                           :         1.97099783
-  parser_exciting.py:0271  coverageIgnore     g_ign|
-  parser_exciting.py:0273         UNNAMED   p_start| Wall time (seconds)                        :       369.04
-  parser_exciting.py:0273  coverageIgnore     g_ign|
-  parser_exciting.py:0274         UNNAMED   p_start| RMS change in effective potential (target) :  0.724505E-08  ( 0.100000E-05)
-  parser_exciting.py:0275         UNNAMED   p_start| Absolute change in total energy   (target) :  0.693572E-07  ( 0.100000E-05)
-  parser_exciting.py:0276         UNNAMED   p_start| Charge distance                   (target) :  0.400332E-09  ( 0.100000E-04)
-  parser_exciting.py:0276  coverageIgnore     g_ign|
-  parser_exciting.py:0276         UNNAMED        no|++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
-  parser_exciting.py:0276       scfi totE   p_start|| SCF iteration number :   26                                                  +
-  parser_exciting.py:0276       scfi totE        no|++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
-  parser_exciting.py:0252         UNNAMED   p_start| Total energy                               :     -1271.64342530
-  parser_exciting.py:0252         UNNAMED        no| _______________________________________________________________
-  parser_exciting.py:0253         UNNAMED   p_start| Fermi energy                               :         0.41701782
-  parser_exciting.py:0254         UNNAMED   p_start| Kinetic energy                             :      1288.76314893
-  parser_exciting.py:0255         UNNAMED   p_start| Coulomb energy                             :     -2505.62830469
-  parser_exciting.py:0256         UNNAMED   p_start| Exchange energy                            :       -53.39424631
-  parser_exciting.py:0257         UNNAMED   p_start| Correlation energy                         :        -1.38402324
-  parser_exciting.py:0257         UNNAMED        no| No external B-field energy in total energy
-  parser_exciting.py:0257  coverageIgnore     g_ign|
-  parser_exciting.py:0268         UNNAMED   p_start| DOS at Fermi energy (states/Ha/cell)       :        26.26411999
-  parser_exciting.py:0268  coverageIgnore     g_ign|
-  parser_exciting.py:0268         UNNAMED        no| Electron charges :
-  parser_exciting.py:0268         UNNAMED        no|     core                                   :        10.00000000
-  parser_exciting.py:0269         UNNAMED   p_start|     core leakage                           :         0.00000000
-  parser_exciting.py:0269         UNNAMED        no|     valence                                :        16.00000000
-  parser_exciting.py:0270         UNNAMED   p_start|     interstitial                           :         1.81514087
-  parser_exciting.py:0270         UNNAMED        no|     charge in muffin-tin spheres :
-  parser_exciting.py:0270         UNNAMED        no|                  atom     1    Fe          :        24.18485913
-  parser_exciting.py:0271         UNNAMED   p_start|     total charge in muffin-tins            :        24.18485913
-  parser_exciting.py:0271         UNNAMED        no|     total charge                           :        26.00000000
-  parser_exciting.py:0271  coverageIgnore     g_ign|
-  parser_exciting.py:0271         UNNAMED        no| Moments :
-  parser_exciting.py:0271         UNNAMED        no|     interstitial                           :        -0.00911426
-  parser_exciting.py:0271         UNNAMED        no|     moment in muffin-tin spheres :
-  parser_exciting.py:0271         UNNAMED        no|                  atom     1    Fe          :         1.98011173
-  parser_exciting.py:0271         UNNAMED        no|     total moment in muffin-tins            :         1.98011173
-  parser_exciting.py:0271         UNNAMED        no|     total moment                           :         1.97099747
-  parser_exciting.py:0271  coverageIgnore     g_ign|
-  parser_exciting.py:0273         UNNAMED   p_start| Wall time (seconds)                        :       389.46
-  parser_exciting.py:0273  coverageIgnore     g_ign|
-  parser_exciting.py:0274         UNNAMED   p_start| RMS change in effective potential (target) :  0.189765E-07  ( 0.100000E-05)
-  parser_exciting.py:0275         UNNAMED   p_start| Absolute change in total energy   (target) :  0.890524E-06  ( 0.100000E-05)
-  parser_exciting.py:0276         UNNAMED   p_start| Charge distance                   (target) :  0.569747E-08  ( 0.100000E-04)
-  parser_exciting.py:0276  coverageIgnore     g_ign|                                                                                
-  parser_exciting.py:0276         UNNAMED        no|++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
-  parser_exciting.py:0276         UNNAMED        no|| Convergency criteria checked for the last 2 iterations                       +
-  parser_exciting.py:0301 inal_quantities   p_start|| Convergence targets achieved. Performing final SCF iteration                 +
-  parser_exciting.py:0301 inal_quantities        no|++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
-  parser_exciting.py:0282         UNNAMED   p_start| Total energy                               :     -1271.64342570
-  parser_exciting.py:0282         UNNAMED        no| _______________________________________________________________
-  parser_exciting.py:0283         UNNAMED   p_start| Fermi energy                               :         0.41701782
-  parser_exciting.py:0284         UNNAMED   p_start| Kinetic energy                             :      1288.76314880
-  parser_exciting.py:0285         UNNAMED   p_start| Coulomb energy                             :     -2505.62830491
-  parser_exciting.py:0286         UNNAMED   p_start| Exchange energy                            :       -53.39424636
-  parser_exciting.py:0287         UNNAMED   p_start| Correlation energy                         :        -1.38402323
-  parser_exciting.py:0287         UNNAMED        no| No external B-field energy in total energy
-  parser_exciting.py:0287  coverageIgnore     g_ign|
-  parser_exciting.py:0297         UNNAMED   p_start| DOS at Fermi energy (states/Ha/cell)       :        26.26411493
-  parser_exciting.py:0297  coverageIgnore     g_ign|
-  parser_exciting.py:0297         UNNAMED        no| Electron charges :
-  parser_exciting.py:0297         UNNAMED        no|     core                                   :        10.00000000
-  parser_exciting.py:0298         UNNAMED   p_start|     core leakage                           :         0.00000000
-  parser_exciting.py:0298         UNNAMED        no|     valence                                :        16.00000000
-  parser_exciting.py:0299         UNNAMED   p_start|     interstitial                           :         1.81514085
-  parser_exciting.py:0299         UNNAMED        no|     charge in muffin-tin spheres :
-  parser_exciting.py:0299         UNNAMED        no|                  atom     1    Fe          :        24.18485915
-  parser_exciting.py:0300         UNNAMED   p_start|     total charge in muffin-tins            :        24.18485915
-  parser_exciting.py:0300         UNNAMED        no|     total charge                           :        26.00000000
-  parser_exciting.py:0300  coverageIgnore     g_ign|
-  parser_exciting.py:0300         UNNAMED        no| Moments :
-  parser_exciting.py:0300         UNNAMED        no|     interstitial                           :        -0.00911428
-  parser_exciting.py:0300         UNNAMED        no|     moment in muffin-tin spheres :
-  parser_exciting.py:0300         UNNAMED        no|                  atom     1    Fe          :         1.98011206
-  parser_exciting.py:0300         UNNAMED        no|     total moment in muffin-tins            :         1.98011206
-  parser_exciting.py:0300         UNNAMED        no|     total moment                           :         1.97099777
-  parser_exciting.py:0300  coverageIgnore     g_ign|
-  parser_exciting.py:0300         UNNAMED        no|++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
-  parser_exciting.py:0301 inal_quantities     p_end|| Self-consistent loop stopped                                                 +
-  parser_exciting.py:0301 inal_quantities        no|++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
-  parser_exciting.py:0301 inal_quantities        no| STATE.OUT is written
-  parser_exciting.py:0301  coverageIgnore     g_ign|
-  parser_exciting.py:0301 inal_quantities        no|********************************************************************************
-  parser_exciting.py:0301 inal_quantities        no|| Groundstate module stopped                                                   *
-  parser_exciting.py:0301 inal_quantities        no|********************************************************************************
-  parser_exciting.py:0301  coverageIgnore     g_ign|
-  parser_exciting.py:0301 inal_quantities        no| Total time spent (seconds)                 :       399.03
-  parser_exciting.py:0301  coverageIgnore     g_ign|
-  parser_exciting.py:0301 inal_quantities        no|================================================================================
-  parser_exciting.py:0301 inal_quantities        no|| EXCITING CARBON stopped                                                      =
-  parser_exciting.py:0301 inal_quantities        no|================================================================================
-- 
GitLab