i have tried epw to calculate the elph interaction.
i used 8*8*8 kpoints and 4*4*4 qpoints for scf and ph calculation.
kmesh.pl was used to produce the kmesh for the nscf calculation (8*8*8).
phonon was calculated at each points seperately,the correct phonon band is also
appear.
when i subbmited the epw.in, i got the erros:
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
task # 3
from calbec : error # 3
size mismatch
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
the k and q mesh used to calculate the elph are:
nkf1 = 80
nkf2 = 80
nkf3 = 80
nqf1 = 40
nqf2 = 40
nqf3 = 40
nk1 = 8
nk2 = 8
nk3 = 8
nq1 = 4
nq2 = 4
nq3 = 4
i make sure that i use the same nk, nq, and conv_thr = 1.0d-16, in all the
calulations.
how can i do to fix this problemes.
Hoping to recive your message.
Thanks alot!_______________________________________________
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