Hi everyone,
I am not able to use the VASP code for Elastic Band Method calculations to
find the Transition states , Barrier. I would appreciate if any one tell me what the problems are.
I used the following just for two POSCARs which are written in two
subdirectories named 01 and 02
SYSTEM = Elastic Band Method
LSCALAPACK= .FALSE.
IBRION=3
POTIM=0.0
ISYM=0
ICHAIN=2
IMAGES=2
But it did not work
It instead says
hus no job control in this shell.
master mpi start node is dirac
nodes are:
dirac
langmuir
nodecount is 2
vasp.4.6.20 12Dec03 complex
ERROR: the following files does not exist POSCAR
Thank you.
Transition State Calculations
Moderators: Global Moderator, Moderator
-
anagaw
- Newbie
- Posts: 8
- Joined: Sun May 29, 2005 7:47 pm
- License Nr.: 357
- Location: Edmonton, Canada
Transition State Calculations
Last edited by anagaw on Mon Jul 04, 2005 9:30 pm, edited 1 time in total.
-
admin
- Administrator
- Posts: 2922
- Joined: Tue Aug 03, 2004 8:18 am
- License Nr.: 458
Transition State Calculations
---> forum 'Installations'
please be careful to post your questions in an appropriate forum!
please be careful to post your questions in an appropriate forum!
Last edited by admin on Tue Jul 05, 2005 2:34 pm, edited 1 time in total.