Dear Mohammed,
the correct keywords are &lr_input, &lr_control and restart_step, you
forgot some under score.
best regards,
Oscar Baseggio
Il 2019-02-04 11:09 Mohamed Ahmed Abd-Elati ha scritto:
Dear all
I want to calculate absorption spectrum for graphene nano meshes
(GNMs). I am already calculated scf and nscf for GNMs structure and
my results are correct compared to published ones. I have an error
during run first stage turbo_lanczos input file
error file is
task # 0
from lr_readin : error # 1
reading lr_input namelist
an input file as in
https://www.semanticscholar.org/paper/turboTDDFT-A-code-for-the-simulation-of-molecular-Malcioglu-Gebauer/fc515556a79f5fa42e3c2ab631d3ec40ed4de951
&lr input
prefix=’5x5-6+3O’,
outdir=’/home/cairo015u1/data/q-e-calculations/new/tmp’,
restart step=250,
/
&lr control
itermax=3000,
ipol=4
/
best regards
MOHAMMED A. ABDELATI
_Assistant Lecturer_
Laser Applications in Metrology Photochemistry and Agriculture (LAMPA)
Department, National Institute of Laser Enhanced Sciences (NILES),
Cairo University, Giza, Egypt.
Mobile +20 1009752922
Home +201152605076
E-mail [email protected]
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