Search found 2 matches
- Tue Jan 27, 2015 7:38 am
- Forum: VTSTTools
- Topic: Dimer error
- Replies: 1
- Views: 6759
Dimer error
Dear all, When I perform the dimer calculation by using "dimrun" example downloaded from the vtst site, the following error appears, and I can not resolve the problem. Error: The IMAGES tag should not be set for this implementation of the dimer method. Could you please help me? Thanks in a...
- Sat Jan 10, 2015 2:56 am
- Forum: VTSTTools
- Topic: The biggest value of EDIFFG for NEB I can set
- Replies: 1
- Views: 7809
The biggest value of EDIFFG for NEB I can set
Dear all,
For the NEB calculation, it is difficult to the convergence of small EDIFFG. What's the biggest value of EDIFFG I can use for publishing a paper ?
Thanks in advance.
Best regard,
Jiang
For the NEB calculation, it is difficult to the convergence of small EDIFFG. What's the biggest value of EDIFFG I can use for publishing a paper ?
Thanks in advance.
Best regard,
Jiang