some problem with NEB
Posted: Fri Apr 03, 2009 1:45 am
I use the NEB to calcuate one image with two nodes, the vasp code gives me the warning message following
running on 2 nodes
each image running on 1 nodes
distr: one band on 1 nodes, 1 groups
vasp.4.6.28 25Jul05 complex
01/POSCAR found : 2 types and 6 ions
LDA part: xc-table for Pade appr. of Perdew
ERROR: the following files does not exist 03/POSCAR
00/POSCAR found : 2 types and 6 ions
ERROR: the following files does not exist 03/POSCAR
And my INCAR file :
SYSTEM=NEB
ENCUT=270.0
SPRING=-5
IMAGES=4
ICHAIN=0
LCLIMB=.TRUE.
POTIM=0.1
electronic relaxation
EDIFF=1e-04
IALGO=8
ISMEAR= 1
spins
ISPIN=2
ionic relaxation
IBRION=2
NSW=20
EDIFFG=-1e-02
NPAR=1 or 2
Please give me some advice , thanks for your help .
running on 2 nodes
each image running on 1 nodes
distr: one band on 1 nodes, 1 groups
vasp.4.6.28 25Jul05 complex
01/POSCAR found : 2 types and 6 ions
LDA part: xc-table for Pade appr. of Perdew
ERROR: the following files does not exist 03/POSCAR
00/POSCAR found : 2 types and 6 ions
ERROR: the following files does not exist 03/POSCAR
And my INCAR file :
SYSTEM=NEB
ENCUT=270.0
SPRING=-5
IMAGES=4
ICHAIN=0
LCLIMB=.TRUE.
POTIM=0.1
electronic relaxation
EDIFF=1e-04
IALGO=8
ISMEAR= 1
spins
ISPIN=2
ionic relaxation
IBRION=2
NSW=20
EDIFFG=-1e-02
NPAR=1 or 2
Please give me some advice , thanks for your help .