|
|
|
The DOS section that outputs information of the SCF solution can be executed with RESTARTDOS, and orbital plots can be obtained with ORBPLOT
You can profit from information of an earlier calculation by using its result file as a restart file as follows. The SCF procedure can be started with the final density of the old calculation with RESTARTSCF. The current implementation of this feature is not quite satisfactory (for technical reasons) in our opinion and will hence be disabled in a future release, to be replaced by an alternative method.