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Performs also an optimization of the end points of the band. | |
This optional keyword cannot be repeated and it expects precisely one logical. | |
The lone keyword behaves as a switch to .TRUE. | |
Default value: .FALSE. |
OPT_TYPE (MD|DIIS) | |
Specifies the type optimizer used for the band | |
This optional keyword cannot be repeated and it expects precisely one keyword. | |
Default value: DIIS | |
List of valid keywords:
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