[Wien] Why does ‘save_lapw’ save ‘vsp’ but not ‘vns’?

Elias Assmann elias.assmann at gmail.com
Fri Oct 11 16:17:06 CEST 2013


Hi List,

The ‘save_lapw’ script saves the spherical part of the potential 
(‘case.vsp’), but not the aspherical part (‘case.vns’).  The user guide 
mentions [‘restore_lapw’, 5.2.2] that after restoring, you should run a 
‘x lapw0’ to recreate the potential before running ‘x lapw1’.

I wonder, what is the reasoning behind this choice?  Why not save ‘vns’? 
  Given that ‘x lapw0’ will recreate it anyway, why save ‘vsp’ at all?

I could not find any discussions about this in the archive, but I 
thought an explanation might be interesting to more people than just me.


	Elias


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