[Pw_forum] Wannier function

[Andrea Ferretti]

Dear Mansoureh,

the conductor.x exectuable of WanT can perform the eigenchannel analysis of the 
transmittance but doesn't print anylonger the orbital-resolved contribution to 
the transmittance.

In case, it is not too difficult to extract the information from the code:
eg, around line 506 of want/src/transport/conductor.f90
the variable cond_aux(1:dimC) is filled with the quantities you are looking for 
(I think)

BTW: want-2.6.0-beta  is avaialable via the MaX userportal
http://userportal.max-centre.eu

hope it helps
Andrea

> Dear all
> I would like find s, px, py and pz contribution in I-V curve for a system, 
> separately. How can I set wannier function in WanT code?
> Regards
> Mansoureh Pashangpour
> IIAU
> Tehran,Iran
> 
> Sent from my iPhone
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-- 
Andrea Ferretti, PhD
S3 Center, Istituto Nanoscienze, CNR
via Campi 213/A, 41125, Modena, Italy
Tel: +39 059 2055322;  Skype: andrea_ferretti
URL: http://www.nano.cnr.it