Could anybody clarify under what conditions it is suggested to recompile main.f between runs. could this improve convergence for the RMMDIIS algo.
<span class='smallblacktext'>[ Edited ]</span>
VASP parallel
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Sonny
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VASP parallel
Last edited by Sonny on Sun Apr 18, 2010 8:59 pm, edited 1 time in total.
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Sonny
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VASP parallel
Ok so I have VASP 4.6 and it is automatic.
I had difficuty with NPLWV and number of plane waves...
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.