[VASP-5.3.2] Hybrid calculation error massage
Posted: Thu May 23, 2013 4:46 am
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.
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.