Re: [Wien] lapw2_mpi crashes during TB-mBJ calculations for WIEN2k_23.2

Dear Prof. Blaha, Thank you for your quick response and fixed code. Now calculations with the -tau switch work fine. Best regards, Hitoshi > 2023/06/19 2:26、Peter Blaha のメール: > > Thank you very much for the report. > > I can confirm the problem, not only for mpi-calculations and mbj, but

Re: [Wien] lapw2_mpi crashes during TB-mBJ calculations for WIEN2k_23.2

Thank you very much for the report. I can confirm the problem, not only for mpi-calculations and mbj, but also for meta-GGAs.    The   -tau switch causes the problem in lapw2_mpi. An endif statement was placed in the wrong place causing the problems. Attached is a new   l2main.F.gz