[Pw_forum] Question for electron phonon coulping

ma Yanming yanming_ma at hotmail.com
Tue Sep 23 16:41:55 CEST 2003


Dear Stefano de Gironcoli,

Actually, I have been struggling the electron-phonon coupling for a long 
time, say half a year.
Up to now, I would like to say I can do things correctly by your excellent 
and detailed explaination on this stuff. Thanks very very ... much.

One final thing I may ask you again is the q points choosing.
I would like to choose Monkhorst-pack q points. If I use 1616x16 
Monkhorst-pack q points, there are,say, 500 q points can be choosen. I only 
can choose more or less 50 of them randomly by considering the computer 
soucre . But for a anisotropic system, it may have a risk. 
If I use 4x4x4 Monkhorst-pack q points, there are only, say, 50 q points in 
the whole first BZ. I can choose all of them to compute. This procedure may 
cover all of the BZ. Then I check the convergence. Is this procedure 
reasonable? 

Yanming Ma

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