[Wien] suggestion-qtl, l=2, hexagonal case.

Kim Kyoo kyoo at postech.ac.kr
Wed Jul 24 16:43:39 CEST 2013


Dear W2k users,
for hexagonal case, the crystal field splitting is grouped as
a1g,eg_pi,eg_sigma
but qtl splitting with L=2, qsplit=4 cannot split DOS well.

I put a new lines in transf.f
------------------------------------------------------------------------------------
if(L.eq.3) then
   if (nm.eq.5)then
.....
   endif
endif
!=====here I put=============================
if ((L.eq.2).and(nm.eq.4))then
   T=0
   a=s2/s3/2.;b=1./s3
   T(-2,-2)=-a
   T(-2,-2)=-a
   T(-2,-2)=-a
endif
!=========================================

-- 
Kyoo Kim,
dept of Physics,
POSTECH, Pohang ,
Korea
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