hit a member that was already found in another star
Posted: Fri Dec 11, 2009 1:28 pm
When I run vasp on our Group's Cluster ,I met with erroe:
hit a member that was already found in another star
My INCAR
PREC=Accurate
ISIF=3
IBRION=2
NSW=10
ISYM = 0
ISMEAR=0
SIGMA=0.2
PSTRESS=1000
LCHARG=F
LWAVE=F
EDIFF=1E-4;EDIFFG= -1E-3
POSCAR
beta Sn
4.9000000000000
1.0 0.0 0.0
0.0 1.0 0.0
0.5 0.5 0.26
2
Direct
-0.125 -0.375 0.25
0.125 0.375 -0.25
KPOINTS
Auto generation
0
Gamma
9 9 9
0.0 0.0 0.0
How can I solve this problem,Thank you!
hit a member that was already found in another star
My INCAR
PREC=Accurate
ISIF=3
IBRION=2
NSW=10
ISYM = 0
ISMEAR=0
SIGMA=0.2
PSTRESS=1000
LCHARG=F
LWAVE=F
EDIFF=1E-4;EDIFFG= -1E-3
POSCAR
beta Sn
4.9000000000000
1.0 0.0 0.0
0.0 1.0 0.0
0.5 0.5 0.26
2
Direct
-0.125 -0.375 0.25
0.125 0.375 -0.25
KPOINTS
Auto generation
0
Gamma
9 9 9
0.0 0.0 0.0
How can I solve this problem,Thank you!