Hi, I am working on 3*3*3 supercell of ZnO...and I am replacing two Zn atoms by 2 Co atoms in it...Using the input file projwfc.x, I have calculated the projected DOS.. Firstly I want to know, what is clearly the difference between PDOS and LDOS.??? Also, Since I have 108 atom supercell, So Corresponding to every atom I have a output file containing its DOS.....So, when i want to plot partial DOS for the whole system,shall I take an average of DOS over all Zn atoms and all O atoms and so on????? I am really confused that PDOS for which atom should I consider while plotting PDOS for the whole system????
Thanks in advance, sincerely, Miss Kajal (UTA)(University of Delhi) Junior Research Fellow -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20100521/e3e86390/attachment.htm
