[wien]What should I do after having used supercell program to calculate a system with dopant?

zhaofangavin at sohu.com zhaofangavin at sohu.com
Wed May 11 13:37:12 CEST 2005


Dear WIEN users,
  I want to calculate the total energy of spin polarized Mn dopped ZnO,what steps would I do after I get the CASE_super.struct file using supercell program? Is these steps can do by w2web graphic interface?
  Does anybody can give me some suggestions?
  Thank you very much!
  Best Regards,
  Fan Zhao
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