[Pw_forum] lambda convergence

Massimiliano Bonomi massimiliano.bonomi at mi.infn.it
Mon Sep 26 11:43:14 CEST 2005

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, Università 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

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