Dear Paolo,
I think the issue is- we have to set up "ATOMIC_VELOCITIES" (not
"IONIC_VELOCITIES" in cp.x manual) right after ATOMIC_POSITIONS which is
according to the CPV_doc in GitLab. At least it solved my issue and MD ran
smoothly.
Best,
Abhirup
On Wed, Nov 11, 2020 at 5:01 PM Abhirup Patra
wrote:
> Even with the underscore, the error remains the same
Are you sure? This is the relevant piece of code. The error is issued in
routine "errore":
SELECT CASE ( TRIM(ion_velocities) )
CASE ('default')
CONTINUE
Even with the underscore, the error remains the same.
--
Abhirup Patra
Postdoctoral Research Fellow
Department of Chemistry
University of Pennsylvania
On Wed, Nov 11, 2020 at 1:30 AM rbert...@sissa.it
You are missing an underscore, it is "from_input"Riccardo Bertossa Messaggio originale Oggetto: [QE-users] Assign Initial velocity in CPMDDa: Abhirup Patra A: Quantum ESPRESSO users Forum CC: Hello QE Users and Developers, I am trying to assign a non-zero velocity along Z axis of a
