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

Dear WIEN2k developers and users, I would like to share the following situation I have for WIEN2k_23.2. WIEN2k_23.2 works fine for me, except for the crash of lapw2_mpi during TB-mBJ calculations using MPI parallel. First, I have performed TB-mBJ calculations for some oxides, such as MgO and

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

is directory and type > > gunzip l2main.F.gz > > make all > > cp lapw2 lapw2c lapw2_mpi lapw2c_mpi .. > > > Regards > > Peter Blaha > > > Am 18.06.2023 um 13:06 schrieb 髙村仁: >> Dear WIEN2k developers and users, >> >> I would l