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
Musari A.A Dept of physics University of Agriculture, Abeokuta Nigeria -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20110619/d4d62326/attachment.htm
