atk.meta_dictionary.json 1.12 KB
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{
  "metadict_name":"atk",
  "metadict_description":"metainfo for the atk_parser",
  "metadict_version":"0.1",
  "metadict_require":[{
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    "metadict_required_name":"common"
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  }],
  "meta_info_entry":[{
    "meta_name":"x_atk_density_convergence_criterion",
    "meta_type":"type-value",
    "meta_description":[
      "Density convergence criteria to break the SCF ",
      "cycle"],
    "meta_parent_section":"section_method",
    "meta_data_type":"float"
  },{
    "meta_name":"x_atk_mix_old",
    "meta_type":"type-value",
    "meta_description":"Number of old densities in the density mixer",
    "meta_parent_section":"section_method",
    "meta_data_type":"int"
  },{
    "meta_name":"x_atk_mix_weight",
    "meta_type":"type-value",
    "meta_description":"Mixing weight in density mixer",
    "meta_parent_section":"section_method",
    "meta_data_type":"float"
  },{
    "meta_name":"x_atk_monkhorstpack_sampling",
    "meta_type":"type-value",
    "meta_description":"Monkhorstpack grid sampling",
    "meta_parent_section":"section_method",
    "meta_data_type":"int",
    "meta_dimension":[{
      "meta_dimension_fixed":3
    }]
  }]
}