[Wien] a strange question about GGA+U

yxl@email.jlu.edu.cn yxl at email.jlu.edu.cn
Sun Sep 2 02:29:26 CEST 2007


Dear Stefaan,
     Thank you for your time and clear answer, i want to know whether the results depend on case.clmcorup/dn, case.clmvalup/dn and case.clmscup/cn files. I think they shouldn't, but the results seem to depend on them. 
     I'll do calculations with different case.dmatup/dn files and compare the results.
                                                                                     yours sincerely,
                                                                                          hongxia


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