Hello sir,
The run also generated an output file for the above NEB run as follows
mpiexec: resolve_exe: using absolute exe "/home/utl0223/bandstructure/vasp.4.6.26_ipf_mpi".
mpiexec: wait_task_start: start evt 2 task 0 on ipf127.
mpiexec: wait_task_start: start evt 3 task 1 on ipf127.
mpiexec ...
Search found 2 matches
- Tue Jan 29, 2008 1:54 am
- Forum: VTSTTools
- Topic: basic NEB run in VASP
- Replies: 6
- Views: 95407
- Mon Jan 28, 2008 10:20 pm
- Forum: VTSTTools
- Topic: basic NEB run in VASP
- Replies: 6
- Views: 95407
basic NEB run in VASP
hello Sir,
I am a new user to NEB. Let me explain my problem background.
I have initial and final POSCARS and one image taken as a midpoint of these two geometries.
each POSACR put into subdirectories 00, 01, 02. I am using 12 nodes.
I want to implement NEB for this using VASP. I couldn't build VASP ...
I am a new user to NEB. Let me explain my problem background.
I have initial and final POSCARS and one image taken as a midpoint of these two geometries.
each POSACR put into subdirectories 00, 01, 02. I am using 12 nodes.
I want to implement NEB for this using VASP. I couldn't build VASP ...