[Wien] Fwd: Ghost band error

-- Forwarded message - From: shamik chakrabarti Date: Fri, 22 Apr 2022 at 15:18 Subject: Ghost band error To: A Mailing list for WIEN2k users Dear Wien2k users, I have tried to optimize an Al doped structure with GGA. In the second iteration it complai

[Wien] Ghost band error

Dear Wien2k users, I have tried to optimize an Al doped structure with GGA. In the second iteration it complains about Ghost band error appearing due to Al s orbital (l=0). By default the energy parameter as set in case.in1c is 0.3 Ry for s orbital of Al. I have checked t