[Pw_forum] erro in virtual.x for VCA 2 ( can I use splinelib.f90?)

yukihiro_okuno at fujifilm.co.jp yukihiro_okuno at fujifilm.co.jp
Thu Jul 5 13:24:12 CEST 2007


Dear PWscf Users and Developer.


I see virtual.f90 and it is not  implemented for
interpolation for pseudo-potential yet.

But the code are written like

if(interpolate) then
  --------
  call dosplineint(....)
  ------
endif

and can I use  /Module/splinelib.f90 for this dosplineint  with
slight modification of code ?

Or , are there problem for such a spline interpolation for virtual
crystal approximation?
(Why stop to use dosplineint in virtual.f90 ?)

Sincerely,


Yukihiro Okuno.




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