[Pw_forum] error when calculate ldos

Sun Tao taosun.victor at gmail.com
Thu Mar 10 06:24:00 CET 2016


Dear All:

I meet with one problem when I was calculating ldos. The intermediate
output file was generated, while the final formatted file for visualization
is not generated. I got the following error:

At line 84 of file plot_io.f90 (unit = 4, file = 'ldos3.5A-4.5A-3D-6.5')
Fortran runtime error: End of file

The input for my ldos calculation is as the following:

 &inputpp
    prefix  = 'GNR_6monomer'
    outdir='./',
    filplot = 'ldos3.5A-4.5A-3D-6.5'
    plot_num= 10
    emin = -6.5
    emax =  -6.4
 /
 &plot
    nfile=1
    filepp(1)='ldos3.5A-4.5A-3D-6.5'
    weight(1)=1.0
    iflag=3
    output_format=3
    fileout='ldos3.5A-4.5A-3D-6.5.XSF'
    e1(1)=0.85, e1(2)=0.0,     e1(3)=0.0
    e2(1)=0.0, e2(2)=0.21,     e2(3)=0.0
    e3(1)=0.0, e3(2)=0.0,     e3(3)=0.007
    x0(1)=0.0, x0(2)=0.00,    x0(3)=0.058948255
    nx=100, ny=100, nz=10
 /

The file "ldos3.5A-4.5A-3D-6.5" was generated. but when the pp.x program
read in "ldos3.5A-4.5A-3D-6.5" and tried to generate
"ldos3.5A-4.5A-3D-6.5.XSF", the error happens. Is my mediated file too
large? I have 38880662 lines of data in "ldos3.5A-4.5A-3D-6.5".

Thanks very much for your help ~

Tao

-- 
Tao Sun (Victor)
Graduate student
Department of Mechanical Science and Engineering
University of Illinois at Urbana-Champaign (UIUC)
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