[QE-users] unknown cell_dofree ibrav error while vc-relax

[Paolo Giannozzi]

On Fri, May 31, 2019 at 9:28 PM Yeon, Jejoon <jyeon at 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
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20190531/589d3eee/attachment.html>