Dear Viet-Ahn,
Unfortunately, the computation for band structure with hybrid functionals is not yet implemented in ABINIT.
Best Regards
François
Search found 2 matches
- Mon Mar 04, 2019 1:49 pm
- Forum: Ground state
- Topic: Band structure along symmetry lines using HSE functional
- Replies: 2
- Views: 2643
- Mon Jun 11, 2012 9:36 am
- Forum: Improving ABINIT
- Topic: Bad Fix: parallel RF calculations [SOLVED]
- Replies: 1
- Views: 5325
Re: Bad Fix: parallel RF calculations [SOLVED]
Dear Matthieu, These lines are very old (before Abinit-5.1.2 !) and were initially in invars1.F90. I have only moved them to mpi_setup1.F90 without changing anything. I intend to rationalize mpi_setup1 in a next future and I shall try to understand where it comes from at that moment. Sincerely yours...