The ABINIT Users Mailing List ( CLOSED )

[Yajie Lei <yajielei@gwu.edu>]

Dear ABINIT users,

I have a question about the orthonormal of the eigenvector calculated 
in ABINIT. 

In the source code phfrq3.f, I read that, with CHPEV or ZHPEV(LAPACK), 
the orthonormal eigenvectors derived from the dynamical matrix. And 
then, the phase of the eigenvectors was fixed by subroutine fxphas(*). 
In fxphas.f, the function described that it would keep normalization 
but maximize real part(minimize imaginary part). So my question is 
whether the altered phase will still make the eigenvectors orthogonal 
to each other or not, besides the normalization. 

Most appreciate for any kind reply. 

Sincerely

Yajie Lei  

Department of Mechanical and Aerospace Engineering
School of Engineering and Applied Science
George Washington University
Email: yajielei@gwu.edu