[Pw_forum] CELL PARAMETERS
昶棘汐
tanycimr at gmail.com
Thu May 12 04:37:18 CEST 2011
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
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