Congratulations for passing Paolo’s test of the functionality of the mailing
list.
Cheers,
Vahid
Vahid Askarpour
Department of physics and atmospheric science
Dalhousie University
Halifax, NS
CANADA
On Apr 28, 2022, at 6:50 AM, remya ud
mailto:remyau...@gmail.com>> wrote:
CAUTION: The Sender
Dear all,
Finally, the 'unknown cell_dofree 'ibrav ' error that occurred during VC
relaxation calculation is solved. Initially, I installed pw.x of the old
version. Recently, Q.E.7.0 is installed. But the program was running on the
previous version.
Sorry for the inconvenience.
thank you
On Thu, A
Dear all,
I am trying to do the vc_relax calculation of Si. But it cracked with an
error
task # 0
from init_dofree: error # 1
unknown cell_dofree ibrav
I am using the 7.0 version of the Quantum espresso. And also checked in
Modules/cell_base.f90 as suggested by the mail
On Sun, May 31, 2020 at 9:17 PM Sriram A wrote:
The lines mentioned in [QE-users] unknown cell_dofree ibrav error while
> vc-relax. message 36054 (
> https://www.mail-archive.com/users@lists.quantum-espresso.org/msg36054.html)
> are present in Modules/cell_base.f90, right below subroutine init_do
Hello,
I am using version 6.5. The lines mentioned in [QE-users] unknown
cell_dofree ibrav error while vc-relax. message 36054 (
https://www.mail-archive.com/users@lists.quantum-espresso.org/msg36054.html)
are present in Modules/cell_base.f90, right below subroutine init_dofree.
The following is
