[Pw_forum] El-Ph funny error

Miguel Martínez Canales wmbmacam at lg.ehu.es
Thu Sep 29 18:20:36 CEST 2005

Dear people,

I'm still trying to get my hands on electron phonon calculations with Al. 
It finally seemed that I worked it out... but I was wrong. I have 
calculated the lambdas at a 8 8 8 regular grid (given by kpoints.x). I am 
using a PBE USPP, with 40 Ry and summing in a 24 24 24 kpoint grid.

While some points work OK, some do not. I have done the phonon and the 
lambda calculation with the same nscf run (elph=trans=.true.). The error 
message I get is (al.elphon.out) the following:

      from phq_init : error #         1
      wrong order of k points

Could anybody shed some light? Thanks in advance,


PS: 1 processor, 3gb of memory are being used

Miguel Martínez Canales
    Dto. Física de la Materia Condensada
    Facultad de Ciencia y Tecnología
    Apdo. 644
    48080 Bilbao (Spain)
Fax:  +34 94 601 3500
Tlf:  +34 94 601 5437

2005 International Year of Physics

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