[CPMD-list] LSD calculations

A.Alaka aoa101 at york.ac.uk
Thu Aug 5 12:24:21 CEST 2004


Can anyone recommend a set of functionals and that they have found 
useful for LSD calculations? A lot of the calculations I've tried 
recently seem to work very well without LSD but become very difficult 
with LSD.
Thanks in advance.




More information about the CPMD-list mailing list