Neb calculation fails
Posted: Thu Jun 15, 2006 8:05 am
hello all,
Itried to do neb calculation as suggested to me in the forum but Ihave got this message error :
running on 16 nodes
each image running on 2 nodes
distr: one band on 1 nodes, 2 groups
vasp.4.6.3 06Feb03 complex
01/POSCAR found : 2 types and 33 ions
LDA part: xc-table for Ceperly-Alder, standard interpolation
No initial positions read in
The POSCAR located in the 01 subdirectory is as :
fcc:
3.52
2.0000000000000000 0.0000000000000000 0.0000000000000000
0.0000000000000000 2.0000000000000000 0.0000000000000000
0.0000000000000000 0.0000000000000000 2.0000000000000000
32 1
Direct
0.0000000000000000 0.0000000000000000 0.0000000000000000
0.0000000000000000 0.5000000000000000 0.0000000000000000
0.5000000000000000 0.0000000000000000 0.0000000000000000
0.2500000000000000 0.7500000000000000 0.0000000000000000
0.2500000000000000 0.2500000000000000 0.0000000000000000
0.5000000000000000 0.5000000000000000 0.0000000000000000
0.7500000000000000 0.2500000000000000 0.0000000000000000
0.7500000000000000 0.7500000000000000 0.0000000000000000
0.0000000000000000 0.0000000000000000 0.5000000000000000
0.0000000000000000 0.5000000000000000 0.5000000000000000
0.2500000000000000 0.2500000000000000 0.5000000000000000
0.2500000000000000 0.7500000000000000 0.5000000000000000
0.5000000000000000 0.0000000000000000 0.5000000000000000
0.5000000000000000 0.5000000000000000 0.5000000000000000
0.7500000000000000 0.2500000000000000 0.5000000000000000
0.7500000000000000 0.7500000000000000 0.5000000000000000
0.2500000000000000 0.0000000000000000 0.2500000000000000
0.0000000000000000 0.2500000000000000 0.2500000000000000
0.0000000000000000 0.7500000000000000 0.2500000000000000
0.2500000000000000 0.5000000000000000 0.2500000000000000
0.5000000000000000 0.2500000000000000 0.2500000000000000
0.5000000000000000 0.7500000000000000 0.2500000000000000
0.7500000000000000 0.5000000000000000 0.2500000000000000
0.7500000000000000 0.0000000000000000 0.2500000000000000
0.2500000000000000 0.0000000000000000 0.7500000000000000
0.0000000000000000 0.2500000000000000 0.7500000000000000
0.0000000000000000 0.7500000000000000 0.7500000000000000
0.2500000000000000 0.5000000000000000 0.7500000000000000
0.5000000000000000 0.2500000000000000 0.7500000000000000
0.5000000000000000 0.7500000000000000 0.7500000000000000
0.7500000000000000 0.5000000000000000 0.7500000000000000
0.7500000000000000 0.0000000000000000 0.7500000000000000
0.2361111111111140 0.2361111111111140 0.2361111111111140
and the INCAR file is as :
ISTART = 0 ; ICHARG=2
ISMEAR = 1 ; SIGMA = 0.2
LORBIT=11
LREAL=.TRUE.
PREC = High
IALGO = 48
ENCUT = 400
ISPIN=2
SPRING=-5
IMAGES=8
IBRION=1
Can any one tell me what the problem?
Thanks for your suggestion.
Itried to do neb calculation as suggested to me in the forum but Ihave got this message error :
running on 16 nodes
each image running on 2 nodes
distr: one band on 1 nodes, 2 groups
vasp.4.6.3 06Feb03 complex
01/POSCAR found : 2 types and 33 ions
LDA part: xc-table for Ceperly-Alder, standard interpolation
No initial positions read in
The POSCAR located in the 01 subdirectory is as :
fcc:
3.52
2.0000000000000000 0.0000000000000000 0.0000000000000000
0.0000000000000000 2.0000000000000000 0.0000000000000000
0.0000000000000000 0.0000000000000000 2.0000000000000000
32 1
Direct
0.0000000000000000 0.0000000000000000 0.0000000000000000
0.0000000000000000 0.5000000000000000 0.0000000000000000
0.5000000000000000 0.0000000000000000 0.0000000000000000
0.2500000000000000 0.7500000000000000 0.0000000000000000
0.2500000000000000 0.2500000000000000 0.0000000000000000
0.5000000000000000 0.5000000000000000 0.0000000000000000
0.7500000000000000 0.2500000000000000 0.0000000000000000
0.7500000000000000 0.7500000000000000 0.0000000000000000
0.0000000000000000 0.0000000000000000 0.5000000000000000
0.0000000000000000 0.5000000000000000 0.5000000000000000
0.2500000000000000 0.2500000000000000 0.5000000000000000
0.2500000000000000 0.7500000000000000 0.5000000000000000
0.5000000000000000 0.0000000000000000 0.5000000000000000
0.5000000000000000 0.5000000000000000 0.5000000000000000
0.7500000000000000 0.2500000000000000 0.5000000000000000
0.7500000000000000 0.7500000000000000 0.5000000000000000
0.2500000000000000 0.0000000000000000 0.2500000000000000
0.0000000000000000 0.2500000000000000 0.2500000000000000
0.0000000000000000 0.7500000000000000 0.2500000000000000
0.2500000000000000 0.5000000000000000 0.2500000000000000
0.5000000000000000 0.2500000000000000 0.2500000000000000
0.5000000000000000 0.7500000000000000 0.2500000000000000
0.7500000000000000 0.5000000000000000 0.2500000000000000
0.7500000000000000 0.0000000000000000 0.2500000000000000
0.2500000000000000 0.0000000000000000 0.7500000000000000
0.0000000000000000 0.2500000000000000 0.7500000000000000
0.0000000000000000 0.7500000000000000 0.7500000000000000
0.2500000000000000 0.5000000000000000 0.7500000000000000
0.5000000000000000 0.2500000000000000 0.7500000000000000
0.5000000000000000 0.7500000000000000 0.7500000000000000
0.7500000000000000 0.5000000000000000 0.7500000000000000
0.7500000000000000 0.0000000000000000 0.7500000000000000
0.2361111111111140 0.2361111111111140 0.2361111111111140
and the INCAR file is as :
ISTART = 0 ; ICHARG=2
ISMEAR = 1 ; SIGMA = 0.2
LORBIT=11
LREAL=.TRUE.
PREC = High
IALGO = 48
ENCUT = 400
ISPIN=2
SPRING=-5
IMAGES=8
IBRION=1
Can any one tell me what the problem?
Thanks for your suggestion.