Commit 2f5fb0c8 authored by Pardini, Lorenzo (lopa)'s avatar Pardini, Lorenzo (lopa)
Browse files

fixed units in GW-"qiang", eval, sc, sx BS

parent 86900ec2
...@@ -8,7 +8,7 @@ from nomadcore.unit_conversion import unit_conversion ...@@ -8,7 +8,7 @@ from nomadcore.unit_conversion import unit_conversion
import os, sys, json import os, sys, json
################################################################ ################################################################
# This is the subparser for the WIEN2k input file (.in2) # This is the subparser for the exciting GW output
################################################################ ################################################################
...@@ -127,9 +127,9 @@ class GWContext(object): ...@@ -127,9 +127,9 @@ class GWContext(object):
pass pass
else: else:
for i in range(0,2): for i in range(0,2):
Sx[i][-1].append(float(s[4])) Sx[i][-1].append(fromH(float(s[4])))
Sc[i][-1].append(float(s[5])) Sc[i][-1].append(fromH(float(s[5])))
qpE[i][-1].append(float(s[3])) qpE[i][-1].append(fromH(float(s[3])))
Znk[i][-1].append(float(s[9])) Znk[i][-1].append(float(s[9]))
backend.addValue("x_exciting_GW_qp_eigenvalues_kpoints", qpGWKpoint) backend.addValue("x_exciting_GW_qp_eigenvalues_kpoints", qpGWKpoint)
backend.addValue("x_exciting_GW_qp_number_of_eigenvalues", len(qpE[0])) backend.addValue("x_exciting_GW_qp_number_of_eigenvalues", len(qpE[0]))
...@@ -311,7 +311,7 @@ class GWContext(object): ...@@ -311,7 +311,7 @@ class GWContext(object):
elif len(s) > 0: elif len(s) > 0:
for i in range(0,2): for i in range(0,2):
# ene = fromH(float(s[6])) # ene = fromH(float(s[6]))
bandEnergies[i][-1].append(float(s[1])) bandEnergies[i][-1].append(fromH(float(s[1])))
kappa[i][-1].append(float(s[0])) kappa[i][-1].append(float(s[0]))
# bandEnergies[i][-1].append(fromH(float(s[1]))) # bandEnergies[i][-1].append(fromH(float(s[1])))
# if int(s[0]) == 1: # if int(s[0]) == 1:
......
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