Thank you for helping me! My current version is QE 6.3, so I asked to my cluster admin to install newest version.
________________________________ From: users <users-boun...@lists.quantum-espresso.org> on behalf of Paolo Giannozzi <p.gianno...@gmail.com> Sent: Friday, May 31, 2019 3:51:44 PM To: Quantum ESPRESSO users Forum Subject: Re: [QE-users] unknown cell_dofree ibrav error while vc-relax On Fri, May 31, 2019 at 9:28 PM Yeon, Jejoon <jy...@udel.edu<mailto: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
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