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  SYSTEM =  NI
   ISTART =  0;
   ISPIN  =  2;
   EDIFF =  1E-06;
   ISMEAR =  1;
   ICHARG = 2;
   NELM = 1000;
   IBRION = 2;
   EDIFFG = 1E-05;
   ISIF = 3;
   ALGO  = fast;
   LREAL  =  F;
   NPAR = 1;
   LORBIT = 1;
   WOSKOWN = 1;
   NSIM = 4;
   PREC = high
   NSW=0
   ENCUT=350
   RWIGS =1.39115
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leila3409(½ð±Ò+25): 2011-11-26 14:27:10
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leila3409

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2Â¥: Originally posted by liliangfang at 2011-11-26 10:56:23:
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3Â¥: Originally posted by liuhuimeiwoo at 2011-11-26 14:23:00:
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