Hello all,
(A) I have sent a few e-mails regarding some questions I have..but I got no
response. Please I do not need some help in this as I tried to resolve on my
own but in vain. I am trying to calculate the electron phonon coefficient
lambda using matdyn.x with the option dos=.true.. I used parallel computing.
However, whatever node or number of processors I use, the code generates the
DOS file but stops before generating lambda.
the error in the output file is:
" Max |d(i,j)-d*(j,i)| = 0.004615 Max |d(i,j)-d*(j,i)|/|d(i,j)|: ********%
Max |d(i,j)-d*(j,i)| = 0.004615 Max |d(i,j)-d*(j,i)|/|d(i,j)|:
********% Max |d(i,j)-d*(j,i)| = 0.004615 Max
|d(i,j)-d*(j,i)|/|d(i,j)|: ********% Max |d(i,j)-d*(j,i)| = 0.004615
Max |d(i,j)-d*(j,i)|/|d(i,j)|: ********% Max |d(i,j)-d*(j,i)| = 0.004615
Max |d(i,j)-d*(j,i)|/|d(i,j)|: ********%rank 0 in job 1 veredas74_52575
caused collective abort of all ranks exit status of rank 0: return code 24"
I have tried running this on my desktop (serial) ..I have copied the a2F files
51--60 and the .fc file all in one folder and when I execute matdyn.x, another
error occurs:
"At line 1940 of file matdyn.f90 (unit = 61, file = 'a2Fmatdyn.61')Fortran
runtime error: End of file"
with an empty a2Fmatdyn.61 file. I understood that the code is trying to read
the a2F...but from where is it reading it? Is there a file other than the ones
I copied into the folder?
My input is:
" &input asr='simple', dos=.true., la2F=.true., amass(1)=12.0107,
flfrc='elphag2ga.fc', fldos='elphag2ga.phdos', flfrq='elphag2ga.freq',
nk1=45, nk2=45, nk3=1, ndos=50 /"
(B) A second fast question. For the lambda.x inout, how can I use kpoints.x to
produce 13 points.?My phonon calculations have 13 phonon points in the phonon
grid.
Any help would be appreciated..Thanks
Elio NahadUniversity of RondoniaBrazil
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