Hi,
I tried to run the hybrid calculation with vasp-5.3.2 but got following massage,
"EDWAV: internal error, the gradient is not orthogonal 1 1"
It showed after first SDA loop, and stopped the calculation after series of the same massage. I've tried to change the PRECFOCK and IBRION, but it didn't help. I used the same INCAR for vasp-5.2.2 before, so the input should be OK. Any suggestion is helpful. Thanks.
[VASP-5.3.2] Hybrid calculation error massage
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yuhao
[VASP-5.3.2] Hybrid calculation error massage
Last edited by yuhao on Thu May 23, 2013 4:46 am, edited 1 time in total.
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admin
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[VASP-5.3.2] Hybrid calculation error massage
This error appears to be a compilation issue:
http://cms.mpi.univie.ac.at/vasp-forum/ ... hp?3.12158
http://cms.mpi.univie.ac.at/vasp-forum/ ... hp?3.12829
http://cms.mpi.univie.ac.at/vasp-forum/ ... hp?3.12158
http://cms.mpi.univie.ac.at/vasp-forum/ ... hp?3.12829
Last edited by admin on Thu May 23, 2013 10:17 am, edited 1 time in total.