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 als
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 subrouti
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 TiO
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