[Pw_forum] About "crystal" coordinates
Alexander Shaposhnikov
shaposh at isp.nsc.ru
Tue Aug 28 11:16:31 CEST 2007
Hello All,
i have been trying to figure out how to set up monoclinic base-centered cell
for Ta2O5 and have some difficulty in determining the right format .
My question is, in what exactly vectors the coordinates in "crystal" format
are entered? Are they initial a,b,c vectors or transformed a1,b1,c1 ?
(notations from the "input_pw" doc file ).
Best Regards,
A. Shaposhnikov
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