<div dir="ltr">Dear W2k users,<div><br></div><div>I've checked qtl.</div><div>I think qtltext.f is somehow misleading.</div><div>Referring transf.f and psplit.f</div><div>I've changed qtltext.f as following (for l=3)</div>
<div>!-------------------------------------------------</div><div>txt(3,2)='f,fx(x2-3y2), fy(3x2-y2), fz(x2-y2), fxyz, fxz2, fyz2, fz3, real basis'</div><div>txt(3,3)='f,[fx(x2-3y2)+fy(3x2-y2),[fxz2+fyz2],fz(x2-y2),fxyz,fz3, axial basis'</div>
<div>txt(3,4)='f,[fz(x2-y2)+fxyz],[fxz2+fyz2],fx(x2-3y2),fy(3x2-y2),fz3, hexagonal '</div><div>txt(3,5)='f,A2,T1,T2, cubic'</div><div>!--------------------------------------------------</div><div><br></div>
<div>I'm not sure that using T1,T2 in real/axial basis is suitable.</div><div>as seen in <a href="http://www.cache.fujitsu.com/mopac/Mopac2002manual/spherical_harmonic_relationships.html">http://www.cache.fujitsu.com/mopac/Mopac2002manual/spherical_harmonic_relationships.html</a></div>
<div>axial basis - cubic basis matrix is not block diagonalized as A2-T1-T2.</div><div>so I've used real-harmonics notation instead.</div><div><br></div><div><br></div><div>Best,</div><div>Kyoo.</div><div class="gmail_extra">
<div><br></div>-- <br><div dir="ltr"><div style="font-family:arial;font-size:small">Kyoo Kim,</div><div style="font-family:arial;font-size:small">dept of Physics,</div><div style="font-family:arial;font-size:small">POSTECH, Pohang ,</div>
<div style="font-family:arial;font-size:small">Korea</div></div>
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