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METHOD_TYPE {Keyword} |
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Type of electronic structure method to be used |
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This
optional
keyword cannot be repeated
and it expects
precisely one keyword.
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Default value:
KOHN-SHAM |
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List of valid keywords:
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- HARTREE-FOCK
- Hartree-Fock electronic structure method
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- KOHN-SHAM
- Kohn-Sham electronic structure method
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- RHF
- Restricted Hartree-Fock electronic structure method
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- RKS
- Restricted Kohn-Sham electronic structure method
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- ROHF
- Restricted open-shell Hartree-Fock electronic structure method
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- UHF
- Unrestricted Hartree-Fock electronic structure method
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- UKS
- Unrestricted Kohn-Sham electronic structure method
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