[Wien] Fermi Energy

Peter Blaha pblaha at zeus.theochem.tuwien.ac.at
Mon Sep 27 12:01:17 CEST 2004


> that is what my question was all about, actually.
> i would like to know whether this absolute reference value is given as output 
> somewhere.....

No, because it is a meaningless quantity. You can find it in lapw0.F, I think
it is UST0.

!     shift to mt-zero
!
  CALL REAN0(NKK,KZZ,IFF1,IFF2,IFF3,UST)
  ISPIN=1
  CALL CPUTIM(TIME4a)
  CALL REAN3(NKK,KZZ,CVALUE,IFF1,IFF2,IFF3,CFFT,UST,UST0)
  EKVOL1=CVALUE(1)*UST0


                                      P.Blaha
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Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
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