||
maximum and minimum number of plane-waves per node : 4521 4457
maximum number of plane-waves: 4521
maximum index in each direction:
IXMAX= 11 IYMAX= 11 IZMAX= 11
IXMIN= -11 IYMIN= -11 IZMIN= -11
NGX is ok and might be reduce to 46
NGY is ok and might be reduce to 46
NGZ is ok and might be reduce to 46
serial 3D FFT for wavefunctions
parallel 3D FFT for charge:
minimum data exchange during FFTs selected (reduces bandwidth)
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当vasp算到这里时自动跳出,解决的方法:
在INCAR中设置ISYM=0
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