Please have posted this before but got no response. Please when relaxing a system in other to obtain the atomic position, what else can be obtain that will be useful for the scf of the alloy/semiconductor assuming the celldm and lattic parameter is not known. (Hypothetical)
Uto Timothy PhD student UI _______________________________________________ Pw_forum mailing list [email protected] http://pwscf.org/mailman/listinfo/pw_forum
