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[VASP-5.3.2] Hybrid calculation error massage

Posted: Thu May 23, 2013 4:46 am
by yuhao
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

Posted: Thu May 23, 2013 10:17 am
by admin