[QE-users] turbo_lanczos error

[Oscar Baseggio]

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    ma1986ff at yahoo.com
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