On Jun 2, 2012, at 22:26 , ??? wrote: > In the appendix of the user guide (...) the electron-phonon > coefficient has a factor (1/M)^0.5. This is calculated in the ph.x > program. > Is the M the total mass of the unit cell, or reduced mass, or > averaged mass?
I wrote that appendix a lot of time ago and don't remember any longer what M is (and don't want to know). My guess is that that the formula is valid for simple metals with one type of atoms and M is the atom mass. For more than one type of atoms, the formula should be generalized (but the code should work correctly) P. --- Paolo Giannozzi, Dept of Chemistry&Physics&Environment, Univ. Udine, via delle Scienze 208, 33100 Udine, Italy Phone +39-0432-558216, fax +39-0432-558222
