Ask for a NEB question!
Posted: Tue Apr 03, 2007 8:42 am
Hallo, sir!
I'd like to do a NEB computation!I install the NEB and Dimer code with the website http: //theory.cm.utexas.edu/vtsttools/downloads/.
And I use the example of "http://theory.cm.utexas.edu/vtsttools/dimer/" for a test!
Yes,I'ts running!But there are no DIMCAR in output data!
The question is why it is?It's needed a parallel pc?I use a single pc!
Thanks a lot!
langes
<span class='smallblacktext'>[ Edited ]</span>
I'd like to do a NEB computation!I install the NEB and Dimer code with the website http: //theory.cm.utexas.edu/vtsttools/downloads/.
And I use the example of "http://theory.cm.utexas.edu/vtsttools/dimer/" for a test!
Yes,I'ts running!But there are no DIMCAR in output data!
The question is why it is?It's needed a parallel pc?I use a single pc!
Thanks a lot!
langes
<span class='smallblacktext'>[ Edited ]</span>