[Pw_forum] VC-RELAX with paw potential

[Federico Iori]

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" <mayankaditya at gmail.com> 
Para: "pw forum" <pw_forum at pwscf.org> 
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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