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

[Peter Blaha]

The reason was to be "minimalistic". The defaults save_lapw only saves 
what you really needed, but you had to take care of modified inputs (or 
potential files) yourself.

In the next WIEN2k version the "default" save_lapw command will save all 
input files (like -all before) and will include case.vns.
We hope this will help less experienced users, as a "restore" really 
restores nearly everything (of course no vector files ...)

Thus the   x lapw0 step will not be necessary anymore.

Am 11.10.2013 16:17, schrieb Elias Assmann:
> 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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-- 
Peter Blaha
Inst.Materials Chemistry
TU Vienna
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