Re: [Wien] error in lapw1

Hi, Maybe this is the source of your problem: If your system has vacuum (like graphene), then you can not apply mBJ without fixing the value of c (of the mBJ potential) to a reasonable value (read the explanations in the last but one paragraph of Sec. 4.5.10 of the user's guide). F. Tran

[Wien] error in lapw1

Dear Prof. Blaha and Wien2k users, I am doing MBJ calculations for graphene-like structurs i counter with error in cycle 12 like: error in LAPW1 Cholesky INFO =1 'SECLR4' - POTRF (Scalapack/LAPACK) failed. could you help me for solving this problem? best, Shahram -- *$h@hr@m <$h@h