[Wien] charge leakage
stargmoon
stargmoon at yahoo.com
Wed Feb 23 22:50:30 CET 2005
Dear WIEN community,
I have a question about the core charge leakage. According to the WIEN2k-FAQ, I can check :NEC01 in case.scf whether too much charge is missing. But when I did this, I found the lines ":NEC01: NUCLEAR AND ELECTRONIC CHARGE 34.00000 33.99989 1.00000" for FeO calculation, but I don't understand what the last column 1.00000 means. Could you please tell me the meaning of 1.00000 here?
Looking forward to your reply! Thanks in advance!
Best,
Stargmoon
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