[Wien] use xyz in wien2k

Subrata Jana subrata.jana at niser.ac.in
Sat May 6 17:15:27 CEST 2017


Dear Wien2k users,
My question is how to use xyz coordinate for further wien2k calculation
(such as PBE/LDA calculation). As wien2k need structure file and to
generate structure file it needed space group as we do in w2web. But how to
use this information for an XYZ coordinates. I'm attaching xyz input file.
please somebody help me.

Wirh regards,
Subrata Jana
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