atk.nomadmetainfo.json 898 Bytes
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{
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  "type":"nomad_meta_info_1_0",
  "name":"atk",
  "description":"metainfo for the atk_parser",
  "dependencies":[{
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    "relativePath":"common.nomadmetainfo.json"
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  },{
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    "relativePath":"public.nomadmetainfo.json"
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  }],
  "metaInfos":[{
    "name":"x_atk_density_convergence_criterion",
    "description":"Density convergence criteria to break the SCF cycle",
    "superNames":["section_method"],
    "dtypeStr":"f"
  },{
    "name":"x_atk_mix_old",
    "description":"Number of old densities in the density mixer",
    "superNames":["section_method"],
    "dtypeStr":"i"
  },{
    "name":"x_atk_mix_weight",
    "description":"Mixing weight in density mixer",
    "superNames":["section_method"],
    "dtypeStr":"f"
  },{
    "name":"x_atk_monkhorstpack_sampling",
    "description":"Monkhorstpack grid sampling",
    "superNames":["section_method"],
    "dtypeStr":"i",
    "shape":[3]
  }]
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}