OPT_TYPE | |
OPT_TYPE (MD|DIIS) | |
Specifies the type optimizer used for the band | |
This optional keyword expects a keyword. Default value: DIIS | |
valid keywords:
| |
OPTIMIZE_END_POINTS | |
Performs also an optimization of the end points of the band. | |
This optional keyword expects a logical | |
This keyword behaves as a switch T . Default value: F |