Search found 4 matches
- Mon Jun 27, 2011 5:14 pm
- Forum: VTSTTools
- Topic: UT Optimizers without Transition state search
- Replies: 1
- Views: 6196
UT Optimizers without Transition state search
Hello, Is it possible to use the UT code's optimizers without doing a transition state search? If so what are the input paramerters that i need to use so that the code won't try to run an NEB search, or do i have to recompile vasp without the NEB, DIMER etc algothymes but with only the optimizers? T...
- Fri Jun 17, 2011 7:46 pm
- Forum: VTSTTools
- Topic: VTST 2.x code updates
- Replies: 30
- Views: 363121
Re: VTST 2.0 code update
What settings need to be used for just a geometry relaxation? Do i need to have a separate compilation of vasp with the new optimizers or do i just need to set ICHAIN equal to something?
thanks
thanks
- Tue May 31, 2011 10:16 pm
- Forum: Bader
- Topic: Windows binaries
- Replies: 4
- Views: 15391
Re: Windows binaries
make that buy a but!
sorry
sorry
- Tue May 31, 2011 10:16 pm
- Forum: Bader
- Topic: Windows binaries
- Replies: 4
- Views: 15391
Re: Windows binaries
Hi,
I am having similar difficulties. I have unpacked the bianaries, but do not know how to install the program. I try typing bader into the cmd, buy all i get is Windows saying that it is not a valid program. what do i need to do to make it run?
I am having similar difficulties. I have unpacked the bianaries, but do not know how to install the program. I try typing bader into the cmd, buy all i get is Windows saying that it is not a valid program. what do i need to do to make it run?