[Pw_forum] cell parameters (celldm(1)-(4)) and atomic positions optimization
abmus007 at gmail.com
Sun Jun 19 10:30:18 CEST 2011
Dear QE Users
Pls I am working on a triclinic system and I want to ask how to optimize the
celldm(1)-celldm(4) and also the atomic positions.
In addition I want to ask if it is neccessary to optimize both or just
atomic positions optimization would be ok
thanks in anticipation of yuor fvourable reply
Dept of physics
University of Agriculture, Abeokuta Nigeria
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