Dear all,
(1) First of all sorry to bombard you with a lot of questions but I am trying
to perform the electron phonon calculation of monolayer graphene and I am
facing some problems. when performing the ph.x command, after some time, I get
an error:
from elphsum : error # 2
q is not a vector in the dense grid
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
stopping ...
This is when trying to do calculations for one particular point. my input file
is the following:
Electron-Phonon interaction for monolayer graphene
&inputph
tr2_ph=1.0d-14,
prefix='elphmonograph',
fildvscf='mgraphdv',
amass(1)=12.0107,
outdir='/tmp/results_MOUJAES/',
fildyn='elphmgraph.dyn',
elph=.true.,
trans=.true.,
ldisp=.true.
nq1=8, nq2=8, nq3=1
/
I have tried with lesser points like say nq1=2, nq2=2, nq3=1 and I did not get
such an error.
(2) My second question is about lambda.x .I have read the example in the QE
package but have not really understood it fully. Can anyone briefly explain to
me or just point out where there is more explanation about this executable..I
fully understtod what it does though..
Regards and thanks for your time
Elie Moujaes
University of Nottingham
NG7 2RD
UK
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