[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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