Ask for a NEB/Dimer question!
Posted: Tue Apr 03, 2007 2:12 pm
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!
Or I need to compile the code again???
I appreciate your help!
langes
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!
Or I need to compile the code again???
I appreciate your help!
langes