MO cube file index for ROKS calculation

Xiaoming Wang wxia... at gmail.com
Fri Sep 29 14:05:35 UTC 2017

Previous message (by thread): MO cube file index for ROKS calculation
Next message (by thread): rtpwfn
Messages sorted by: [ date ] [ thread ] [ subject ] [ author ]

Another question is how to find a way to print the eigenvalues for ROKS calculations? The usual way of print MO doesn't work.

Previous message (by thread): MO cube file index for ROKS calculation
Next message (by thread): rtpwfn
Messages sorted by: [ date ] [ thread ] [ subject ] [ author ]

More information about the CP2K-user mailing list