[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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