[QE-users] Regarding Stm image

[pboulet]

Hello,

Have you checked that do not have invisible, special characters (tabulations, …) in your input file?

Best,


Pascal Boulet
—
Professor in computational materials chemistry - DEPARTMENT OF CHEMISTRY
University of Aix-Marseille - Avenue Escadrille Normandie Niemen - F-13013 Marseille - FRANCE
Tél: +33(0)4 13 55 18 10 - Fax : +33(0)4 13 55 18 50
Email : pascal.boulet at univ-amu.fr <mailto:pascal.boulet at univ-amu.fr>










> Le 26 juil. 2021 à 10:30, Paolo Giannozzi <p.giannozzi at gmail.com> a écrit :
> 
> It works for me
> 
> PG
> 
> On Mon, Jul 26, 2021 at 9:38 AM Satyasiban Dash ph19d005 <ph19d005 at smail.iitm.ac.in <mailto:ph19d005 at smail.iitm.ac.in>> wrote:
> Dear Users
> 
> I have been trying to figure out stm image of one of the examples given in qe-6.7 but while running with pp.x I am getting the following result
> 
> 
> Error in routine postproc (1):
>      reading inputpp namelist
> 
> 
> 
> The input file
> 
> &INPUTPP
>                       prefix = 'alas' ,
>                       outdir = './' ,
>                      filplot = 'alasstm' ,
>                     plot_num = 5,
>                  sample_bias = -0.0735d0 ,
>  /
> &PLOT
>                        nfile = 1 ,
>                    filepp(1) = 'stm-1',
>                    weight(1) = 1.0,
>                      fileout = 'alasstm_out' ,
>                        iflag = 2 ,
>                output_format = 2 ,
>                        e1(1) = 7.0,
>                        e1(2) = 0.0,
>                        e1(3) = 0.0,
>                        e2(1) = 0.0,
>                        e2(2) = 7.07107,
>                        e2(3) = 0.0,
>                        x0(1) = 0.0,
>                        x0(2) = -0.18,
>                        x0(3) = 3.25,
>                           nx = 36 ,
>                           ny = 56 ,
>  /
> 
> Please suggest what is going wrong.
> 
> 
> Thank You.
> Satyasiban Dash
> PhD Scholar
> IIT Madras
> _______________________________________________
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> 
> -- 
> Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche,
> Univ. Udine, via delle Scienze 206, 33100 Udine, Italy
> Phone +39-0432-558216, fax +39-0432-558222
> 
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