Dear pwscf users, I'm trying to calculate electron-phonon coupling constant at Gamma point for a solid assembled from clusters. I have used different mesh of k-points (800, 1600, 2200) and different value for the gaussian smearing. Plotting the DOS and the value for lambda I noticed a strange thing: the density of states is convergent for smearing in the range 0.02-0.03 while suddenly goes up for smearings larger than 0.05. Lambda is nearly constant for smearing > 0.06 and increases before.
Should they converge in the same range of gaussian smearing? What is happening?? Thanks in advance. Massimiliano Bonomi -- Massimiliano Bonomi Dipartimento di Fisica, Universit? degli Studi di Milano via Celoria, 16 - 20133 Milano, Italy ph. +39 02 50317 717 e-mail: massimiliano.bonomi at mi.infn.it, massimiliano.bonomi at unimi.it
