Thanks for the information! Best, Wenfei
<[email protected]>于2019年3月9日 周六上午12:46写道： > 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 >
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