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METHOD_TYPE KOHN-SHAM | |
Type of electronic structure method to be used | |
This optional keyword cannot be repeated and it expects precisely one keyword. | |
Default value: KOHN-SHAM | |
List of valid keywords:
|
RELATIVISTIC DKH(2) | |
Type of scalar relativistic method to be used | |
This optional keyword cannot be repeated and it expects precisely one keyword. | |
Default value: OFF | |
List of valid keywords:
|
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