[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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