Search found 2 matches

by michel
Mon Jan 21, 2013 3:50 am
Forum: VTSTTools
Topic: Dimer Method: Empty DIMCAR, no CENTCAR, no NEWMODECAR
Replies: 5
Views: 14789

Re: Dimer Method: Empty DIMCAR, no CENTCAR, no NEWMODECAR

Hi,

Here it is.

Thank you for helping

Best,
Michel.
by michel
Mon Jan 21, 2013 2:41 am
Forum: VTSTTools
Topic: Dimer Method: Empty DIMCAR, no CENTCAR, no NEWMODECAR
Replies: 5
Views: 14789

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: ---...