[Wannier] the initial guess in the Amn matrix

[fatemeh.mirjani]

Dear users ;

I have a question about the initial guess ( g_n(r) ) for Wanniers in the Amn matrix.
g_n(r)=g(r)* sigma( c(l,m)* Y(l,m))
When we don't consider hybrids orbitals as a trial Wannier, the orbitals are simple (like as s,p,d,f) and the c(l,m) coefficients are equal to 1 .  yes?
But for considering the hybrids orbitals as a trial Wannier, I want to use the Table3.2 in page35 of Wannier_Userguide.
For extracting the coefficients from this table we see l quantities are negative.
I don't know how can I use these data whereas I should put the corresponding psi(l_c,m_c) (in the integral for Amn) that is not available in Wien2k. (because l is negative and we have psi(l,m) for positive l .)

Your help is greatly appreciated like your previous favor.

Kind Regards,
Fatemeh

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|Fatemeh Mirjani                              | Email: f_mirjani at ph.iut.ac.ir  |
|Computational Condensed Matter Research Lab. | Tel/Fax Office: +98311-3913746 |
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