[Wien] About isplit!!

zufengxia at sohu.com zufengxia at sohu.com
Mon Mar 15 14:10:52 CET 2004


Dear all users:
  I am trying to plot the DOS for a system including the transitional Co element with space group Pnnm. The case.struct shows the parameter ISPLIT=8, in order to get the t2g and eg partial DOS instead of the dxy,dyz,dxz,dx2y2,and dz2 DOS for Co d states, I forced the ISPLIT to 2, however I found that the ISPLIT is still the initial value (8) after running the SCF. If any one can give me an answer?


Thank you very much

F.X. Zu




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