[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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