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Help with NEB

Posted: Sun Mar 25, 2012 6:00 pm
by Leny
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,

Help with NEB

Posted: Tue Apr 03, 2012 12:39 pm
by admin
please read the manual (as long as you use the vasp-version distributed by the vasp-group): there IS no OUTCAR file written to 00 and (N+1)

Help with NEB

Posted: Sun Apr 08, 2012 6:49 pm
by Leny
I did read the manual better and with help of some experts I do much better :)