WARNING in EDDRMM: call to ZHEGV failed
Posted: Thu May 28, 2020 7:18 pm
I am doing a total energy calculation for FeHe system in Vasp 5.4.1 which i encounter the following error in the second step onwards of ionic relaxation.
WARNING in EDDRMM: call to ZHEGV failed, returncode = 6 3 197
I looked into the thread forum/viewtopic.php?f=3&t=214&p=215 however I am not able to figure out what would be the cause of error in my case.
Earlier in the same calculation I encountered the error DAV Sub space matrix is not Hermitian which I resolved by adding the tags POTIM PREC and IALGO
Please have a look at the input and output files attached. Any suggestions as to how I can resolve this error?
WARNING in EDDRMM: call to ZHEGV failed, returncode = 6 3 197
I looked into the thread forum/viewtopic.php?f=3&t=214&p=215 however I am not able to figure out what would be the cause of error in my case.
Earlier in the same calculation I encountered the error DAV Sub space matrix is not Hermitian which I resolved by adding the tags POTIM PREC and IALGO
Please have a look at the input and output files attached. Any suggestions as to how I can resolve this error?