On 09/06/2015 18:05, Carlo Motta wrote: > Dear all, > > is it possible to compute the electron-phonon couplings for insulating > systems? > I tried and got this error: > %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% > Error in routine phq_readin (1): > Electron-phonon only for metals > %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% > > Thanks in advance, > Yes, you can put a small smearing and fake your insulator as a metal, but does it make sense?
You would get zero, unless you have some phonons with energy higher than the electronic gap (1eV=8065cmm1), and a non-zero Bose-Einstein occupation at a reasonable temperature (1cmm1=1.4Kelvin*kB). HTH -- Dr. Lorenzo Paulatto IdR @ IMPMC -- CNRS & Université Paris 6 +33 (0)1 44 275 084 / skype: paulatz http://www-int.impmc.upmc.fr/~paulatto/ 23-24/4é16 Boîte courrier 115, 4 place Jussieu 75252 Paris Cédex 05 _______________________________________________ Pw_forum mailing list [email protected] http://pwscf.org/mailman/listinfo/pw_forum
