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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