[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.
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20091126/2deaf3fa/attachment.html>
More information about the users
mailing list