[QE-users] igk_k , davcio, evc and wfck2r.f90

[Paolo Giannozzi]

On Wed, Sep 4, 2019 at 4:29 PM Aritz Leonardo <aritz.leonardo at ehu.eus>
wrote:

If I print on the screen for a check , the values of evc and evc(igk_k)
> corresponding to the first 4 planewaves, (1st band )
>
>    WRITE(*,*) evc(1,1), evc(igk_k(1,ik),1)
>
no, no!  evc(i,n) = i-th component of the n-th band; the i-th component
corrsponds to (k+G)(i) = k(ik)+G(igk_k(i,ik))   where ik is the index of
k-points. G is the array of G-vectors

Paolo

-- 
Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche,
Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20190905/c3711688/attachment.html>