Dear Mayank vc-relax with PAW works fine, the culprit mus tbe some other feature, or combination of those. And it is probably written in the error message that you forgot to send us.
kind regards On Wednesday, 13 April 2016 20:43:16 CEST Mayank Gupta wrote: > 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 -- Dr. Lorenzo Paulatto IdR @ IMPMC -- CNRS & Université Paris 6 +33 (0)1 44 275 084 / skype: paulatz http://www.impmc.upmc.fr/~paulatto/ 23-24/4é16 Boîte courrier 115, 4 place Jussieu 75252 Paris Cédex 05 _______________________________________________ Pw_forum mailing list [email protected] http://pwscf.org/mailman/listinfo/pw_forum
