[Pw_forum] electron-phonon interaction coefficient lambda of MgB2 by PWscf?

[Liu Lei]

Dear all,

 

I calculated electron-phonon interaction coefficient lambda of MgB2 by
PWscf.

I got the value lambda=0.6, it seems a little bit too small.

 

Anyone try MgB2 before, would you please kindly give me some suggestions
and comments?

 

The below is my setting. 

 

Thanks and regards,

 

LIU, LEI

 

PSEUDO_LIST="B.pz-vbc.UPF Mg.pz-n-vbc.UPF "

 

Electronic # self-consistent calculation and # non self-consistent
calculation

K_POINTS (automatic)

24  24  12  0  0  0             

 

 # denser grid

K_POINTS (automatic)

48  48  24  0  0  0                                   

 

Phonon integration at 

K_POINTS (automatic)

6  6  6  0  0  0                                   

 

 

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