Dear All, I found a bug in the "qtl" package. SRC_qtl/transf.f should be debugged as following
================================================== In the very beginning, the definitions of s3, s5 are missing s2=sqrt(2.) * !!KK-------------------------------------------------------------------------- * * s3=sqrt(3.)* * s5=sqrt(5.)* * !!------------------------------------------------------------------------------- * do m1=-l,l do m2=-l,l T(m1,m2)=0. enddo enddo if(nm.eq.1)then ! identity matrix, basis Ylm write(6,100)L 100 format(' L=',i3,'. Unitary transformation to Ylm basis') do m1=-L,L T(m1,m1)=1. enddo else if(nm.ge.2)then ! Real basis (*) ! ordering: real y_L,M^+, y_L,M^-, yL,M-1^+, y_L,M-1^-,.... y_L0 write(6,101)L 101 format(' L=',i3,'. Unitary transformation to real basis') k=-L do M=-L,-1 T(k, M)=1./s2 T(k,-M)=1./s2 k=k+1 T(k, M)= img/s2 T(k,-M)=-img/s2 k=k+1 enddo T(L, 0)=1. endif if(L.eq.3)then if(nm.eq.5)then ! f states in cubic symmetry treated here * !!KK-------------------------------------------------------------------------- * * T=0* * !!------------------------------------------------------------------------------- * L=3,nm=5 should be treated separately but this condition holds for (*) too spoiling T matrix. so we need to initialize again or one can modify the condition (*) to exclude L=3,nm=5 condition ================================================== tested result was reasonable. Best, Kyoo Kyoo Kim dept of Physics POSTECH, Pohang, Korea
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