[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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