OUTCAR in NEB

Message

Leny · #1 Post by **Leny** » Sun Mar 25, 2012 6:58 pm

Hello,
for running nudged elastic band (NEB), when you move OUTCAR1 to 00 directory and OUTCAR2 to NN+1 directory, do you save them with the name OUTCAR1 and 2 in their directories or just with the name OUTCAR with out any number ?
I need to get this can some one answer me,

best regards,

#2 Post by **admin** » Tue Apr 03, 2012 12:36 pm

sorry, but please check what the commands you want to use (mv,...) do

Leny · #3 Post by **Leny** » Sun Apr 08, 2012 7:01 pm

I new what command I should use but I was not sure about saving the OUTCARS in 00 and xx+1 files with the name OUTCAR1 and OUTCAR2, I was not sure whether this must be OUTCAR1 or just OUTCAR but I found out VASP can not read OUTCAR with any extra letter or number.

#4 Post by **admin** » Tue Apr 24, 2012 2:19 pm

oo and xx+1 do NOT contain any output (please have a look at the manual)