[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
--------------------------------------------------------------------------
Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
Phone: +43-1-58801-15671 FAX: +43-1-58801-15698
Email: blaha at theochem.tuwien.ac.at WWW: http://info.tuwien.ac.at/theochem/
--------------------------------------------------------------------------
More information about the Wien
mailing list