Re: [Wien] Run SCF for Supercell ZnO:Mg

2021-01-27 Thread Laurence Marks
It is not clear from your email where the error was. Please look (ls) for a non-zero error file (cat *.error). In many cases this will tell you what the error is. Most errors are in user parameters, and the error message will tell you what to do. Most others have already been discussed on the

[Wien] Run SCF for Supercell ZnO:Mg

2021-01-27 Thread Murat Aycibin
Hi guys I have been trying to run SCF of ZnO with Mg. I have built ZnO supercell and replace one Zn with Mg. after that, i have done initial calculation. everything is fine and no error. when i go for SCF i am getting below error > stop error grep: lapw2*.error: No such file or directory