Hi,
Here it is.
Thank you for helping
Best,
Michel.
Search found 2 matches
- Mon Jan 21, 2013 3:50 am
- Forum: VTSTTools
- Topic: Dimer Method: Empty DIMCAR, no CENTCAR, no NEWMODECAR
- Replies: 5
- Views: 15056
- Mon Jan 21, 2013 2:41 am
- Forum: VTSTTools
- Topic: Dimer Method: Empty DIMCAR, no CENTCAR, no NEWMODECAR
- Replies: 5
- Views: 15056
Dimer Method: Empty DIMCAR, no CENTCAR, no NEWMODECAR
Hi All,
I successfully compile Vasp 5.3 and the vtstcode (3.0b). The code works very well for NEB calculations but I have some issue when I use the Dimer method. After few hours of calculation, typing the command "grep Dimer OUTCAR" only gives me:
CHAIN: Running the Dimer method
Dimer ...
I successfully compile Vasp 5.3 and the vtstcode (3.0b). The code works very well for NEB calculations but I have some issue when I use the Dimer method. After few hours of calculation, typing the command "grep Dimer OUTCAR" only gives me:
CHAIN: Running the Dimer method
Dimer ...