[QE-users] [SPAM] Re: Error in routine postproc (pp.x)

[Paolo Giannozzi]

> Input: https://drive.google.com/file/d/1CTIEuA-E_n1Eri97fHTmNJq60wp2Xjev/view?usp=sharing

INPUTPP
    prefix= 'mcresol341scfnband2'
    outdir = './outdir'
    filplot = 'LUMO_mcresol.dat'
    plot_num=7
    kband=40
    lsign=.true.
    kpoint=1kpt
/

The last item is incorrect. The correct syntax is something like 
kpoint(1)=1 (an integer). "fileout" in the following namlist is also wrong

&PLOT
   nfile=1
   filepp(1)= 'LUMO_mcresol.dat'
   weight(1)=1
   output_format=6
   fileout=''LUMO_14mcresol.dat'
   iflag=3
> 
> Output: https://drive.google.com/file/d/1vtfY2C2bNy4XPphx4L0nM1JbFP5DzTME/view?usp=drive_link
> 
> Script: https://drive.google.com/file/d/1DTW6HMw5UUWXouTzNnquggMWK4uqBKdn/view?usp=drive_link
> 
> Kindly suggest how to troubleshoot this problem.
> 
> Thanking you
> Suraj
> Research student
> IIT, India
> 
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-- 
Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche,
Univ. Udine, via delle Scienze 206, 33100 Udine Italy, +39-0432-558216
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