Hi.
I think you should send the input and the output of your calculations in order
to have an idea.
Cheers.
Federico
Federico IORI
Marie Curie Fellow
Laboratoire de Physique des Solides
Bâtiment 510 - Rue André Rivière
91400 Orsay
----- Mensaje original -----
De: "Mayank Gupta" <[email protected]>
Para: "pw forum" <[email protected]>
Enviados: Miércoles, 13 de Abril 2016 17:13:16
Asunto: [Pw_forum] VC-RELAX with paw potential
Dear all,
I am doing band structure calculation of PrMnO3 system. During relaxation using
paw pseudo potential using vc-relax calculation the volume relaxation is not
performed. Is there any restriction with PAW potentials.
Thanks
--
--with regard's
M. K. Gupta
MUMBAI, INDIA
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