pp.x has the option to plot a range of wavefunctions you just have to specify kband(1)=min and kband(2)=max. Have a look at the pp.x input description:
"kband(i), i=1,2 Band(s) to be plotted. To plot a single band ibnd, specify kband=ibnd or kband(1)=ibnd To plot a range of bands [imin, imax], specify kband(1)=imin and kband(2)=imax" Regards Dominik M.Sc. Dominik Voigt PhD Student Münster University of Applied Sciences Email: [email protected] > Hi, > > I'm wondering if there's a way to extract all the orbital wavefunctions at > once? I've been using pp.x to extract them one by one, but it takes a very > long time for large systems. > Is there any other applications that can be used to extract orbitals? > Thanks for your time! > > Best, > Wenfei > _______________________________________________ > users mailing list > [email protected] > https://lists.quantum-espresso.org/mailman/listinfo/users _______________________________________________ users mailing list [email protected] https://lists.quantum-espresso.org/mailman/listinfo/users
