VASP parallel

Problems running VASP: crashes, internal errors, "wrong" results.


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Sonny
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VASP parallel

#1 Post by Sonny » Sun Apr 18, 2010 8:59 pm

Could anybody clarify under what conditions it is suggested to recompile main.f between runs. could this improve convergence for the RMMDIIS algo.


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Last edited by Sonny on Sun Apr 18, 2010 8:59 pm, edited 1 time in total.

Sonny
Newbie
Newbie
Posts: 24
Joined: Wed Feb 17, 2010 11:34 pm
License Nr.: 1118

VASP parallel

#2 Post by Sonny » Wed May 05, 2010 5:57 am

Ok so I have VASP 4.6 and it is automatic.
I had difficuty with NPLWV and number of plane waves...
Last edited by Sonny on Wed May 05, 2010 5:57 am, edited 1 time in total.

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