[QE-users] open_grid.x issue
wenusaras
wenusaras at uom.lk
Mon Mar 4 15:42:16 CET 2024
Hi,
I am new to QE and W90.
After the execution pw.graphene.scf.in, I tried to obtain the the full
grid of k‐points in the Brillouin zone using open_grid.x by executing
open_grid.graphene.in. (i.e., unfolding the reduced K points on to full
K points)
However it does not provide an output (open_grid.graphene.out), The
prefix for open_grid.graphene.in is in same directory.
could you please help me to sort this out?
--
Thank You
Wenusara Satheekshana
University of Moratuwa
-------------- next part --------------
An embedded and charset-unspecified text was scrubbed...
Name: open_grid.graphene.in
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20240304/8ca73e88/attachment.ksh>
-------------- next part --------------
An embedded and charset-unspecified text was scrubbed...
Name: open_grid.graphene.out
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20240304/8ca73e88/attachment-0001.ksh>
-------------- next part --------------
An embedded and charset-unspecified text was scrubbed...
Name: pw.graphene.scf.in
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20240304/8ca73e88/attachment-0002.ksh>
More information about the users
mailing list