NO pseudopotential is using both LDA and GGA. pseudopotentials are genererated according to ONE given XC functional and should be used with it. the functional used in the generation is written clearly in the pseudopotential file (UPF) and often is also clearly specified in the pseudopotential name. stefano
Padmaja Patnaik wrote: > Dear all > > how to know which pseudopotentials are using both LDA and GGA? Its not > mentioned clearly in all files. > > Regards > > Padmaja Patnaik > Research Scholar > Dept of Physics > IIT Bombay > Mumbai, India > > > ------------------------------------------------------------------------ > > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://www.democritos.it/mailman/listinfo/pw_forum >
