[QE-users] turbo_lanczos error

Mohamed Ahmed Abd-Elati maa at niles.edu.eg
Mon Feb 4 11:09:03 CET 2019


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    ma1986ff at yahoo.com
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