Hi Siebe,
As far as I could infer from the guide alone, that seems to be true.
However, I don't understand from the documentation how the A tag is
then used if the CELL_PARAMETERS section is provided. From the
examples I have tried out, the A tag seems to be simply incompatible
with CELL_PARAM
Sent: 08 October 2019 17:24
To: Quantum ESPRESSO users Forum
Subject: Re: [QE-users] Scaling factor for
Dear Siebe and Quantum Espresso friends,
According to me, the tag A in &SYSTEM has a different meaning.
See:
https://www.quantum-espresso.org/Doc/INPUT_PW.html#idm231
Met vriendelijke gro
Dear Siebe and Quantum Espresso friends,
According to me, the tag A in &SYSTEM has a different meaning.
See:
https://www.quantum-espresso.org/Doc/INPUT_PW.html#idm231
Met vriendelijke groeten,
Mit freundlichen Grüßen,
With kind regards,
Willem Offermans
Researcher Electrocatalysis SCT
VITO N
Hi all,
I am trying to figure out whether there is a way to scale all three unit cell
vectors at once in QE using pw.x. In my input file, I am using the
CELL_PARAMETERS card (in units of Angstrom) to specify a unit cell. This
(https://www.mail-archive.com/users@lists.quantum-espresso.org/msg193
