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

[Peter Blaha]

I cannot verify this observation. My w2web works as it should and orb -up/dn
is always called.

Please note, that when -so is set, the orbital potential will be
added on lapwso, not in lapw1 !


> 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.


                                      P.Blaha
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Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
Phone: +43-1-58801-15671             FAX: +43-1-58801-15698
Email: blaha at theochem.tuwien.ac.at    WWW: http://info.tuwien.ac.at/theochem/
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