[Pw_forum] units of psi in e-ph coupling matrix element

Ajit Vallabhaneni avallabh at purdue.edu
Mon Feb 27 06:51:25 CET 2012


Dr. Paolo,

      Thanks for your earlier reply. I am trying to find the actual units of "g" now inside the code. In the file elphon.f90, i find this 

"calculate elphmat(j,i)=<psi_{k+q,j}|dvscf_q*psi_{k,i}> for this pertur".

          what is the exact units of the term dvscf_q in the code? Is it Hartree/Bohr ?( Hartree for energy and Bohr for length)

Thanks
Ajit



More information about the users mailing list