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00BRMIX: very serious problems
the old and the new charge density differ
old charge density:   432.00000 new***********
    0.546E+07
ERROR FEXCP: supplied Exchange-correletion table
    is too small, maximal index :    76167997
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getengqing

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2Â¥2015-11-11 14:48:29
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СÓã¶ùv56

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2Â¥: Originally posted by getengqing at 2015-11-11 14:48:29
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