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nomad-lab
nomad-meta-info
Commits
4a08589b
Commit
4a08589b
authored
Apr 01, 2016
by
Chibani, Wael (wlc)
Browse files
Meta data necessary for the perturbative GW parsing are completed.
parent
220d2a3c
Changes
1
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meta_info/nomad_meta_info/fhi_aims.nomadmetainfo.json
View file @
4a08589b
...
...
@@ -809,15 +809,55 @@
],
"units"
:
"J"
},
{
"description"
:
"
Single eigenvalue of
perturbative GW"
,
"description"
:
"
KS ground state energy at a given eigenstate needed in
perturbative GW"
,
"dtypeStr"
:
"f"
,
"name"
:
"fhi_aims_eigenvalue_
eigenvalue_perturbativeGW
"
,
"name"
:
"fhi_aims_eigenvalue_
ks_GroundState
"
,
"repeats"
:
true
,
"shape"
:
[],
"superNames"
:
[
"fhi_aims_section_eigenvalues_list_perturbativeGW"
],
"units"
:
"J"
},
{
"description"
:
"Exact exchange energy at given eigenstate from perturbative GW"
,
"dtypeStr"
:
"f"
,
"name"
:
"fhi_aims_eigenvalue_ExactExchange_perturbativeGW"
,
"repeats"
:
true
,
"shape"
:
[],
"superNames"
:
[
"fhi_aims_section_eigenvalues_list_perturbativeGW"
],
"units"
:
"J"
},
{
"description"
:
"KS exchange correlation energy at a given eigenstate needed to calculate the quasi-particle energy in perturbative GW"
,
"dtypeStr"
:
"f"
,
"name"
:
"fhi_aims_eigenvalue_ks_ExchangeCorrelation"
,
"repeats"
:
true
,
"shape"
:
[],
"superNames"
:
[
"fhi_aims_section_eigenvalues_list_perturbativeGW"
],
"units"
:
"J"
},
{
"description"
:
"Correlation energy at a given eigenstate from perturbative GW"
,
"dtypeStr"
:
"f"
,
"name"
:
"fhi_aims_eigenvalue_correlation_perturbativeGW"
,
"repeats"
:
true
,
"shape"
:
[],
"superNames"
:
[
"fhi_aims_section_eigenvalues_list_perturbativeGW"
],
"units"
:
"J"
},
{
"description"
:
"Quasiparticle energy at a given eigenstate from perturbative GW"
,
"dtypeStr"
:
"f"
,
"name"
:
"fhi_aims_eigenvalue_quasiParticle_energy"
,
"repeats"
:
true
,
"shape"
:
[],
"superNames"
:
[
"fhi_aims_section_eigenvalues_list_perturbativeGW"
],
"units"
:
"J"
},
{
"description"
:
"Single eigenvalue"
,
"dtypeStr"
:
"f"
,
...
...
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