[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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