<div dir="ltr">Dear All,<div>I found a bug in the "qtl" package.</div><div>SRC_qtl/transf.f should be debugged as following</div><div><br></div><div><br></div><div><br></div><div>==================================================</div>
<div>In the very beginning, the definitions of s3, s5 are missing</div><div><br></div><div><div> s2=sqrt(2.)</div><div><b><font color="#0000ff">!!KK--------------------------------------------------------------------------</font></b></div>
<div><b><font color="#0000ff"> s3=sqrt(3.)</font></b></div><div><b><font color="#0000ff"> s5=sqrt(5.)</font></b></div><div><b><font color="#0000ff">!!-------------------------------------------------------------------------------</font></b></div>
</div><div><div> do m1=-l,l</div><div> do m2=-l,l</div><div> T(m1,m2)=0.</div><div> enddo</div><div> enddo</div><div><br></div><div> if(nm.eq.1)then ! identity matrix, basis Ylm</div><div>
write(6,100)L</div><div>100 format(' L=',i3,'. Unitary transformation to Ylm basis')</div><div> do m1=-L,L</div><div> T(m1,m1)=1.</div><div> enddo</div><div> else if(nm.ge.2)then ! Real basis (*)</div>
<div>! ordering: real y_L,M^+, y_L,M^-, yL,M-1^+, y_L,M-1^-,.... y_L0</div><div> write(6,101)L</div><div>101 format(' L=',i3,'. Unitary transformation to real basis')</div><div> k=-L</div><div>
do M=-L,-1</div><div> T(k, M)=1./s2</div><div> T(k,-M)=1./s2</div><div> k=k+1</div><div> T(k, M)= img/s2</div><div> T(k,-M)=-img/s2</div><div> k=k+1</div><div> enddo</div>
<div> T(L, 0)=1.</div><div> endif</div><div><br></div><div><br></div><div> if(L.eq.3)then</div><div> if(nm.eq.5)then ! f states in cubic symmetry treated here</div><div><b><font color="#0000ff">!!KK--------------------------------------------------------------------------</font></b></div>
<div><b><font color="#0000ff"> T=0</font></b></div><div><b><font color="#0000ff">!!-------------------------------------------------------------------------------</font></b><br></div></div><div><br></div><div>L=3,nm=5 should be treated separately but this condition holds for (*) too</div>
<div>spoiling T matrix. so we need to initialize again</div><div>or one can modify the condition (*) to exclude L=3,nm=5 condition</div><div>==================================================<br></div><div>tested result was reasonable.</div>
<div><br></div><div>Best,</div><div>Kyoo</div><div><br></div><div>Kyoo Kim</div><div>dept of Physics</div><div>POSTECH, Pohang, Korea</div><div><br></div></div>