Dear Sushant, all the pseudopotential you use must be built with the same density functional (pw91, pz, pbe, blyp, etc). The functional is written at the beginning of the pseudopotential file, and usually it is also part of the file name
-- 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 Pw_forum@pwscf.org http://pwscf.org/mailman/listinfo/pw_forum