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
VASP 5.2.11 with Dynamical Matrix
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Re: VASP 5.2.11 with Dynamical Matrix
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
No, we still have the problem; we will get back to u soon and great thanks
Re: VASP 5.2.11 with Dynamical Matrix
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
i will upload the attachment soon and great thanks