Dear all i want to get the CELL PARAMETERS after optimization . i input celldm(1)=9.562 celldm(4)=0.5269558 .and the result of vc-relax is
CELL_PARAMETERS (alat= 9.56200000) 0.474658417 -0.274044165 0.810068437 0.000000000 0.548088330 0.810068437 -0.474658417 -0.274044165 0.810068437 i wonder why the celldm(1) is still the same . thanks in advance tanyci nankai university tianjin china -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20110512/2514c9a5/attachment.htm
