[Wien] Modifications in phonon script

[Peter Blaha]

You cannot include spin-orbit !
SO + forces are not supported.

Am 01.01.2011 05:08, schrieb Ghosh SUDDHASATTWA:
> I have a querie on the run_lapw command
>
> As is mentioned in the UG,
>
> “modify the script according to your needs….”
>
> My queries are
>
>    1. Can we include spin orbit coupling run_lapw –I –i 200 –so –p –fc 0.1
>
>    2. Can we modify like run_lapw –I –i 200 –so –ec 0.0001 –cc 0.001 –fc 0.1 –p
>
> Thank you
>
> Suddhasattwa
>
>
>
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Peter Blaha
Inst. Materials Chemistry, TU Vienna
Getreidemarkt 9, A-1060 Vienna, Austria
Tel: +43-1-5880115671
Fax: +43-1-5880115698
email: pblaha at theochem.tuwien.ac.at
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