[QE-users] Regarding Stm image
Satyasiban Dash ph19d005
ph19d005 at smail.iitm.ac.in
Mon Jul 26 10:49:37 CEST 2021
I checked.Even I created a new file and used PWSCF to make sure all the
tabulations are correct but still the same problem.
On Mon, Jul 26, 2021 at 2:05 PM pboulet <pascal.boulet at univ-amu.fr> wrote:
> 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
>
>
>
>
>
>
>
>
>
>
> 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> 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
>> _______________________________________________
>> Quantum ESPRESSO is supported by MaX (www.max-centre.eu)
>> users mailing list users at lists.quantum-espresso.org
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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
>
> _______________________________________________
> Quantum ESPRESSO is supported by MaX (www.max-centre.eu)
> users mailing list users at lists.quantum-espresso.org
> https://lists.quantum-espresso.org/mailman/listinfo/users
>
>
> _______________________________________________
> Quantum ESPRESSO is supported by MaX (www.max-centre.eu)
> users mailing list users at lists.quantum-espresso.org
> https://lists.quantum-espresso.org/mailman/listinfo/users
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