[Wien] Initial wave function
yanming Ma
ymma66 at yahoo.com
Wed Sep 17 00:16:46 CEST 2003
Dear Users,
Does anyone have the experience to extract the wave function of the initial core orbital in WIEN2k? I need the initial wave function for another code, FDMNES. How can I get the wave function of the initial core orbital from WIEN2k?
I will highly appreciate your help.
Yanming Ma Ph.D
Steacie Institute for Molecular Sciences,
National Research Councils of Canada,
Ottawa, Ontario
K1A 0R6
Canada
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