self_interaction_correction_method.meta_info_entry.json 1.26 KB
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{
  "meta_name":"self_interaction_correction_method",
  "meta_type":"type-value",
  "meta_description":[
    "Contains the name for the self-interaction correction (SIC) treatment used to ",
    "calculate the final energy and related quantities. If skipped or empty, no ",
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    "special correction is applied."],
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  "meta_parent_section":"section_method",
  "meta_abstract_types":[
    "settings_self_interaction_correction"],
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  "meta_data_type":"string",
  "meta_enum":[{
    "meta_enum_value":"none",
    "meta_enum_description":"No correction"
  },{
    "meta_enum_value":"SIC_AD",
    "meta_enum_description":"The average density correction"
  },{
    "meta_enum_value":"SIC_SOSEX",
    "meta_enum_description":"Second order screened exchange"
  },{
    "meta_enum_value":"SIC_EXPLICIT_ORBITALS",
    "meta_enum_description":[
      "(scaled) Perdew-Zunger correction explicitly on a set of ",
      "orbitals"]
  },{
    "meta_enum_value":"SIC_MAURI_SPZ",
    "meta_enum_description":[
      "(scaled) Perdew-Zunger expression on the spin density / doublet unpaired ",
      "orbital"]
  },{
    "meta_enum_value":"SIC_MAURI_US",
    "meta_enum_description":[
      "A (scaled) correction proposed by Mauri and co-workers on the spin density / ",
      "doublet unpaired orbital"]
  }]
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}