Search found 2 matches

by jollet
Mon Mar 04, 2019 1:49 pm
Forum: Ground state
Topic: Band structure along symmetry lines using HSE functional
Replies: 2
Views: 2394

Re: Band structure along symmetry lines using HSE functional

Dear Viet-Ahn,

Unfortunately, the computation for band structure with hybrid functionals is not yet implemented in ABINIT.

Best Regards

François
by jollet
Mon Jun 11, 2012 9:36 am
Forum: Improving ABINIT
Topic: Bad Fix: parallel RF calculations [SOLVED]
Replies: 1
Views: 4882

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...