write_hsx not backwards compatible
Asked by
marc barbry
For post processing, I need to read the Hamiltonian from the .HSX file.
I just installed siesat-4.1-b4 and my script to read the Hamiltonian returned an error. Looking at the Siesta code, I see the comment
Note because of the new more compact method of storing H and S
this routine is NOT backwards compatible
in the subroutine write_hsx (m_hsx.F). Could I get a description of the changes between the new version and the old one that I can adapt my code to the new version?
Out of curiosity, I see that the variable gamma is always False in this new version. Why is it so?
Best regards,
Marc Barbry
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