(eg.calculate optical properies, ssNMR)
I run relax only ...
Michal
From: users on behalf of
singaravelan T R
Sent: Sunday, April 18, 2021 1:42:14 PM
To: users@lists.quantum-espresso.org
Subject: [QE-users] Doubt regarding vc relax and relax - Reg
Dear all,
Thanks
Dear all,
Thanks for the reply. From the reply. I understood that if I am very sure
about lattice parameter from experimental XRD. Then I can proceed with
relax.
If I am unsure about lattice parameter then I should proceed with vc-relax.
Is that correct?
with thanks,
Singaravelan T R
