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nomad-lab
nomad-meta-info
Commits
febbedaf
Commit
febbedaf
authored
Feb 02, 2018
by
Pardini, Lorenzo (lopa)
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added gw bandgap, frequencies and more
parent
7b7143e8
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meta_info/nomad_meta_info/common.nomadmetainfo.json
meta_info/nomad_meta_info/common.nomadmetainfo.json
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meta_info/nomad_meta_info/common.nomadmetainfo.json
View file @
febbedaf
...
...
@@ -289,6 +289,33 @@
"superNames"
:
[
"section_method"
]
},
{
"description"
:
"GW Fermi energy"
,
"dtypeStr"
:
"f"
,
"name"
:
"gw_fermi_energy"
,
"shape"
:
[],
"superNames"
:
[
"section_single_configuration_calculation"
],
"units"
:
"J"
},
{
"description"
:
"GW fundamental band gap"
,
"dtypeStr"
:
"f"
,
"name"
:
"gw_fundamental_gap"
,
"shape"
:
[],
"superNames"
:
[
"section_single_configuration_calculation"
],
"units"
:
"J"
},
{
"description"
:
"GW optical band gap"
,
"dtypeStr"
:
"f"
,
"name"
:
"gw_optical_gap"
,
"shape"
:
[],
"superNames"
:
[
"section_single_configuration_calculation"
],
"units"
:
"J"
},
{
"description"
:
"Maximum G for the pw basis for the Coulomb potential."
,
"dtypeStr"
:
"f"
,
...
...
@@ -365,6 +392,34 @@
"superNames"
:
[
"section_method"
]
},
{
"description"
:
"Number referring to the frequency used in the calculation of the self energy."
,
"dtypeStr"
:
"i"
,
"name"
:
"gw_frequency_number"
,
"repeats"
:
true
,
"shape"
:
[],
"superNames"
:
[
"section_method"
]
},
{
"description"
:
"Values of the frequency used in the calculation of the self energy."
,
"dtypeStr"
:
"f"
,
"name"
:
"gw_frequency_values"
,
"repeats"
:
true
,
"shape"
:
[],
"superNames"
:
[
"section_method"
],
"units"
:
"J"
},
{
"description"
:
"Weights of the frequency used in the calculation of the self energy."
,
"dtypeStr"
:
"f"
,
"name"
:
"gw_frequency_weights"
,
"repeats"
:
true
,
"shape"
:
[],
"superNames"
:
[
"section_method"
]
},
{
"description"
:
"Number of frequency points used in the calculation of the self energy."
,
"dtypeStr"
:
"i"
,
...
...
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