Commit 93075bd1 authored by Mohamed, Fawzi Roberto (fawzi)'s avatar Mohamed, Fawzi Roberto (fawzi)
Browse files

exciting: fixing units, and preliminary dos

parent 0fe8dccb
......@@ -13,7 +13,7 @@
"superNames": [
"section_system_description"
],
"units": "m"
"units": "m^-3"
}, {
"description": "Core-electron kinetic energy",
"dtypeStr": "f",
......@@ -94,6 +94,27 @@
"section_single_configuration_calculation"
],
"units": "J"
}, {
"description": "energy value for a dos point",
"dtypeStr": "f",
"name": "exciting_dos_energy",
"repeats": true,
"shape": [],
"superNames": [
"energy_value",
"exciting_section_dos"
],
"units": "J"
}, {
"description": "Density of states values",
"dtypeStr": "f",
"name": "exciting_dos_value",
"repeats": true,
"shape": [],
"superNames": [
"exciting_section_dos"
],
"units": "J^-1"
}, {
"description": "Effective potential energy",
"dtypeStr": "f",
......@@ -259,6 +280,13 @@
"section_single_configuration_calculation"
],
"units": "J"
}, {
"description": "dos values",
"kindStr": "type_section",
"name": "exciting_section_dos",
"superNames": [
"section_single_configuration_calculation"
]
}, {
"description": "lattice vectors",
"kindStr": "type_section",
......@@ -273,7 +301,7 @@
"superNames": [
"section_system_description"
],
"units": "m"
"units": "m^3"
}, {
"description": "XC potential",
"dtypeStr": "f",
......
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