Could you please provide the header of the two density files? Thanks,
GS Il giorno 18/set/2012, alle ore 15.32, Yue-Wen Fang ha scritto: > The cells are same size and the cutoff is also same. The difference is that > in the second cell I used a pseudopotential generated by virtual.x (the pp > mix N.*.UPF and O.*.UPF), in the other words, i used the virtual crystal > approximation method to simulate the SRO system doped by nitrogen. > > Best wishes! ? Gabriele Sclauzero, EPFL SB ITP CSEA PH H2 462, Station 3, CH-1015 Lausanne -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20120918/bb012d7b/attachment.htm
