VASP 5.2.11 with Dynamical Matrix

Vasp transition state theory tools

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Marks
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Joined: Mon Jun 20, 2011 4:43 pm

VASP 5.2.11 with Dynamical Matrix

Post by Marks »

Hi,

I am trying to run a dynamical matrix calculation using VASP 5.2.11 and the program stops running after it has reached the last iteration and fails to exit properly.
Using VASP4.6, the same input files yield a successfully completed run.
Has anyone had a similar problem? or any ideas on how to solve this issue?

Thanks
-Mark
graeme
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Re: VASP 5.2.11 with Dynamical Matrix

Post by graeme »

If this has not been resolved, I would be interested to see the input files of the problem case.
kai
Posts: 56
Joined: Sun Oct 31, 2010 11:01 pm

Re: VASP 5.2.11 with Dynamical Matrix

Post by kai »

No, we still have the problem; we will get back to u soon and great thanks
kai
Posts: 56
Joined: Sun Oct 31, 2010 11:01 pm

Re: VASP 5.2.11 with Dynamical Matrix

Post by kai »

yes, we do have this problem and it appears to be associated with the writing of OSZICAR at the very last step in dynmatrix, giving error and a strange core file. Based on OUTCAR, the calculation has finished nicely.

i will upload the attachment soon and great thanks
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