Help with NEB
Posted: Sun Mar 25, 2012 6:00 pm
Dear all,
I am new starting making NEB calculations, I made some calculations and when the were finished and ran vfin.pl and after that I run nebresult.pl on result directory I got this message :
]$ vfin.pl resultf1f1_neb
****
Cleaning up after a neb run
****
In directory: /data/users/aff2/verkefni/Pt110/neb/f1/nebf1f1/00
cp: cannot stat `OUTCAR': No such file or directory
In directory: /data/users/aff2/verkefni/Pt110/neb/f1/nebf1f1/01
bzip2: Can't open input file ../resultf1f1_neb/00/OUTCAR: No such file or directory.
and I don?t get any output files that supposed to get!!
can some one help me with that please?
best regards,
I am new starting making NEB calculations, I made some calculations and when the were finished and ran vfin.pl and after that I run nebresult.pl on result directory I got this message :
]$ vfin.pl resultf1f1_neb
****
Cleaning up after a neb run
****
In directory: /data/users/aff2/verkefni/Pt110/neb/f1/nebf1f1/00
cp: cannot stat `OUTCAR': No such file or directory
In directory: /data/users/aff2/verkefni/Pt110/neb/f1/nebf1f1/01
bzip2: Can't open input file ../resultf1f1_neb/00/OUTCAR: No such file or directory.
and I don?t get any output files that supposed to get!!
can some one help me with that please?
best regards,