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VASP 5.2.11 with Dynamical Matrix

Posted: Fri Jul 08, 2011 3:08 pm
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

Re: VASP 5.2.11 with Dynamical Matrix

Posted: Wed Aug 24, 2011 9:00 pm
by graeme
If this has not been resolved, I would be interested to see the input files of the problem case.

Re: VASP 5.2.11 with Dynamical Matrix

Posted: Fri Aug 26, 2011 9:36 pm
by kai
No, we still have the problem; we will get back to u soon and great thanks

Re: VASP 5.2.11 with Dynamical Matrix

Posted: Fri Sep 23, 2011 3:46 pm
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