[Wien] -orb -so not -so -orb and w2web

Gerhard Fecher fecher at uni-mainz.de
Wed Dec 21 12:04:43 CET 2005


I recognised that the run scf from w2web calls lapw with the switches -so -orb if the boxes spinorbit and orbital potential are checked.
In that case orb is not called fore unknown reason.
If giving the options in the series -orb -so in the expert options, everything works fine.

I hope this helps if someone is wondering why the calculation does not include the orbital potential.

Ciao
Gerhard


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