Dear anonymous QE user, Next time when you put a question, please provide your affiliation as it is accepted in this forum.
Bests, Eyvaz. --- ?????? <archygu at hotmail.com> wrote: > > Dear pwscf users, > i want to calculate the spin Hall Effect in hole > doped GaAs. > however,we do not know how to set atomic positions. > for example,in the GaAs system scf calculation , > I set the atomic position as follows: > Ga 0 0 0 > As 0.25 0.25 0.25 > but how can I do if I want to add two vacant( 0.5 > 0.5 0.5) (0.75 ,0.75 0.75) in the GaAs scf > calculation? > > _________________________________________________________________ > ??????MSN?????????????????????????????????????? > http://mobile.msn.com.cn/ > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://www.democritos.it/mailman/listinfo/pw_forum > ------------------------------------------------------------------- Prof. Eyvaz Isaev, Theoretical Physics Department, Moscow State Institute of Steel & Alloys, Russia, IFM, Linkoping University, Sweden Condensed Matter Theory Group, Uppsala University, Sweden Eyvaz.Isaev at fysik.uu.se, eyvaz_isaev at yahoo.com ____________________________________________________________________________________ Be a better friend, newshound, and know-it-all with Yahoo! Mobile. Try it now. http://mobile.yahoo.com/;_ylt=Ahu06i62sR8HDtDypao8Wcj9tAcJ
