[Wien] Why does ‘save_lapw’ save ‘vsp’ but not ‘vns’?
elias.assmann at gmail.com
Fri Oct 11 16:17:06 CEST 2013
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.
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