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  • direct 0.00000000 0.00000000 0.25000000 0.33333333 0.66666667 0.25000000 IVDW = 20 LVDW_EWALD =.TRUE. NSW = 1 IBRION = 2 ISIF = 4 PREC = Accurate EDIFFG
    4 KB (662 words) - 13:25, 14 November 2019
  • 75000000 0.33333333 0.66666667 0.25000000 0.66666667 0.33333333 0.75000000 IVDW = 20 LVDW_EWALD =.TRUE. NSW = 1 IBRION = 2 ISIF = 4 PREC = Accurate EDIFFG
    3 KB (565 words) - 13:25, 14 November 2019
  • direct 0.00000000 0.00000000 0.25000000 0.33333333 0.66666667 0.25000000 IVDW = 202 LVDWEXPANSION =.TRUE. NSW = 1 IBRION = 2 ISIF = 4 PREC = Accurate EDIFFG
    4 KB (630 words) - 13:25, 14 November 2019