[Pw_forum] A problem about Ex.12

mohsen modaresi modaresi.mohsen at gmail.com
Thu Nov 26 15:58:32 CET 2009


Hi dear users
I read Ex.12 and run it, In the input file for Al (al.scf.in ) i see this
part
     ibrav = 6,
    celldm(1) =5.3,
    celldm(3) =1.414,
But we konw that Al has F.CC structure, Why they set ibarav=6 not 2, I faced
with this problem in example 11 in the Want package.
Thanks for answers

Mohsen Modaresi
Msc. Student of Solid State Physics,
Department of Physics,Ferdowsi University of Mashhad,
Iran.
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