[QE-users] The produced xsf files cannot be open by xcrysden

jibiaoli jibiaoli at foxmail.com
Thu Sep 5 09:39:00 CEST 2024


Dear All


I am reporting a bug in QE 7.3 or 7.3.1. I tried to use PPin QE 7.3 to generate 2D contour plots. However, the produced xsf files cannot be open by xcrysden whenever plot_num is. When I open the xsf files, I saw that something is missing in the files. 


 &INPUTPP
   prefix          = 'bri' 
   outdir          = './' 
   filplot         = 'mono_ldee' 
   plot_num        = 4
 /
 &PLOT
   nfile           = 1 
   weight(1)       = 1.0
   fileout         = 'mom_ldee.xsf' 
   iflag           = 2 
   output_format   = 3 
   e1(1)           = 0
   e1(2)           = 1
   e1(3)           = 0
   e2(1)           = 0.4646
   e2(2)           = 0
   e2(3)           = 0.8855
   x0(1)           = 0.1161
   x0(2)           = 1
   x0(3)           = 0.3061
   nx              = 64 
   ny              = 64 
 /





jibiaoli
jibiaoli at foxmail.com







 
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