Hi everyone,
I am doing a VASP calculation, and I encounter the error code "Error EDDDAV: Call to ZHEGV failed. Returncode = 34 2 64". I do not know how to solve it.
In the log file, it also mentioned that "The distance between some ions is very small". I have tried to increase the lengths of a-axis and b-axis and in the POSCAR. However, the message is still there.
My input files are in the attachments.
Thank you
A quick look at your POSCAR file shows there are at least two atoms (atom #1 and #9) at the origin. Here is part of your POSCAR file:
0.000000000 0.000000000 0.000000000
0.499953002 0.000000000 0.000000000
0.250023007 0.250000000 0.000000000
0.749976993 0.250000000 0.000000000
0.500047028 0.500000000 0.000000000
0.000000000 0.500000000 0.000000000
0.250023007 0.750000000 0.000000000
0.749976993 0.750000000 0.000000000
0.000000000 0.000000000 0.000000000
0.499953002 0.000000000 0.000000000
This may be the reason for that error.
Wow, thank you for telling me. I did not notice it previously, and the calculation can be performed now. Thank you so much!
Mnor Mf you may try by changing the algorithm, mainly IBRION flag. Sometimes it helps or you can also try by changing the number of processors. These may solve the issue.
How about "Error EDDDAV: Call to ZHEGV failed. Returncode = 31 1 32"? This promble arises when VASP Calculations With Model Solvation
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