On Fri, May 31, 2019 at 9:28 PM Yeon, Jejoon <jy...@udel.edu> wrote:
> from init_dofree : error # 1
> unknown cell_dofree ibrav
>
go into Modules/cell_base.f90, search for subroutine init_dofree. At the
very beginning:
SELECT CASE ( TRIM( cell_dofree ) )
CASE ( 'all', 'default' )
iforceh = 1
CASE ( 'ibrav')
iforceh = 1
enforce_ibrav = .true.
If you do not see those lines, you are running an old version.
Paolo
--
Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche,
Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222
_______________________________________________
Quantum ESPRESSO is supported by MaX (www.max-centre.eu/quantum-espresso)
users mailing list users@lists.quantum-espresso.org
https://lists.quantum-espresso.org/mailman/listinfo/users
