[Wien] pure Alm coefficient

[Mohammad R. Rasoulian]

Dear Blaha

We are writing an interface code between Wien2k and Wannier90 .

 In our implementation we need to Alm(k) and Blm(k) coefficients that are
the coefficients of Apw+lo wave function .

We know that those coefficients are written in Case.almblm file.

But are those coefficients multiplied to C (G+k) –that is the coefficient of
the bloch wave function-?

if the answer is yes how we can extract pure Alm and Blm coefficients .?

 which part of wien2k source and which file do this role-multiplication of
C(G+k) to Alm and Blm-?

we know the C(G+k) are written in Case.output1.

Thanks  in advance for your help

best regard

-- 
--
======================================
Mohammad Reza Rasoulian
Computational Condensed Matter Research Lab
Physics Department, Isfahan University of Technology, Iran

Tel lab: +98 311 391 3731     Fax Office: +98311 391 3746
------------------------------

-- 
--
======================================
Mohammad Reza Rasoulian
Computational Condensed Matter Research Lab
Physics Department, Isfahan University of Technology, Iran

Tel lab: +98 311 391 3731     Fax Office: +98311 391 3746
------------------------------
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20090919/f78b4cf2/attachment.htm>