[Pw_forum] Factor M in electron-phonon coupling matrix element
Paolo Giannozzi
paolo.giannozzi at uniud.it
Sun May 18 22:27:30 CEST 2014
M should be the nuclear mass, if I remember correctly (these
formulas are valid for crystals with a single kind of atoms,
if I remember correctly)
P.
On Sat, 2014-05-17 at 18:02 +0530, Sridhar Sadasivam wrote:
> Dear QE users and developers,
>
>
> I am writing to ask for a small clarification in the formula that
> defines the electron-phonon coupling matrix element (Equation 1 in the
> phonon user guide:
> http://www.quantum-espresso.org/wp-content/uploads/Doc/ph_user_guide.pdf )
>
>
> What is 'M' in Equation 1? Is it the total mass of the unit cell?
>
>
> Thanks,
> Sridhar
> Purdue University
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Paolo Giannozzi, Dept. Chemistry&Physics&Environment,
Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222
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