"description":"String to specify the kind of band structure (either electronic or vibrational).",
"dtypeStr":"C",
"name":"band_structure_kind",
"repeats":false,
"shape":[],
"superNames":[
"section_k_band"
]
},
{
{
"description":"Unique string identifying the basis set used for the final wavefunctions calculated with XC_method. It might identify a class of basis sets, often matches one of the strings given in any of basis_set_name.",
"description":"Unique string identifying the basis set used for the final wavefunctions calculated with XC_method. It might identify a class of basis sets, often matches one of the strings given in any of basis_set_name.",
"dtypeStr":"C",
"dtypeStr":"C",
...
@@ -511,7 +521,7 @@
...
@@ -511,7 +521,7 @@
]
]
},
},
{
{
"description":"Kind of method in calculation_method_current.\n\nAccepted values are:\n\n- absolute\n- perturbative\n- phononic.",
"description":"Kind of method in calculation_method_current.\n\nAccepted values are:\n\n- absolute\n- perturbative.",
"dtypeStr":"C",
"dtypeStr":"C",
"name":"calculation_method_kind",
"name":"calculation_method_kind",
"repeats":false,
"repeats":false,
...
@@ -628,6 +638,16 @@
...
@@ -628,6 +638,16 @@
"section_dos"
"section_dos"
]
]
},
},
{
"description":"String to specify the kind of density of states (either electronic or vibrational).",
"dtypeStr":"C",
"name":"dos_kind",
"repeats":false,
"shape":[],
"superNames":[
"section_dos"
]
},
{
{
"description":"Tuples of $l$ and $m$ values for which dos_values_lm are given. For the quantum number $l$ the conventional meaning of azimuthal quantum number is always adopted. For the integer number $m$, besides the conventional use as magnetic quantum number ($l+1$ integer values from $-l$ to $l$), a set of different conventions is accepted (see the [m_kind wiki page](https://gitlab.rzg.mpg.de/nomad-lab/nomad-meta-info/wikis/metainfo/m-kind). The actual adopted convention is specified by dos_m_kind.",
"description":"Tuples of $l$ and $m$ values for which dos_values_lm are given. For the quantum number $l$ the conventional meaning of azimuthal quantum number is always adopted. For the integer number $m$, besides the conventional use as magnetic quantum number ($l+1$ integer values from $-l$ to $l$), a set of different conventions is accepted (see the [m_kind wiki page](https://gitlab.rzg.mpg.de/nomad-lab/nomad-meta-info/wikis/metainfo/m-kind). The actual adopted convention is specified by dos_m_kind.",