When I do a AIMD calculation about amorphous silicon using VASP, it always intermit at 25th step. The error information is like this:
SETYLM ERROR: -48 -48 -48 32
I donot know the meanning. My INCAR file is:
SYSTEM = Si
ISTART = 0
ISIF = 0
IBRION = 0
POTIM=1.08
ISYM=0
NSW = 10000
IALGO=48
NELMIN=4
IWAVPR=2
TEBEG=500
SMASS=2
SETYLM ERROR
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waynebeibei
SETYLM ERROR
Last edited by waynebeibei on Mon Jul 21, 2008 11:37 am, edited 1 time in total.