[Pw_forum] Enquiry about the Electrostatic Potential

[song kenan]

Dear All,

I am trying to use Quantum Espresso to calculate the 
electrostatic potential energy for my system after the SCF calculation 
done. I am not sure about the result content in system.pot file. I put my pp.in and part of my system.pot files below. Would anyone 
kindly tell me what data I can use in system.pot file to get the 
electrostatic potential energy along z axis? Many thanks in advance.

My pp.in file
&inputpp
prefix='5QLBi2Se3_mr'
outdir='/home/likewise-open/ICN/ksong/Documents/5QLBi2Se3_mrbackup1/tmp/'
filplot='5QLBi2Se3_mr1.pot'
plot_num=11
/

Part of My system.pot file
                                                                           
      32      32     512      32      32     512      25       2
     0        7.75916043      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000
   1.0000000000000000        0.0000000000000000        0.0000000000000000     
 -0.50000000001217737       0.86602540377819748        0.0000000000000000     
  -6.6678505368968752E-006   3.8496863569861876E-006   16.691579978613341     
      225.6999392490        4.0000000000       37.0000000000    11
   1   Bi    5.00
   2   Se    6.00
   1      -0.000001131    0.000000653    2.830891964    1
   2      -0.000000603    0.000000348    1.510587988    2
   3       0.500002925    0.288673446    5.193084363    1
   4       0.500003452    0.288673141    3.874616460    2
   5       0.500002503    0.288673689    6.250495955    2
   6      -0.000001703    0.000000983    4.262695695    1
   7      -0.000002229    0.000001287    5.580662850    2
   8      -0.000007652    0.577354687    6.638575189    1
   9      -0.000005759    0.577353594    1.899001054    1
  10      -0.000006286    0.577353898    3.218971199    2
  11       0.500004055    0.288672793    2.365530715    2
  12      -0.000006889    0.577354246    4.727890029    2
  13      -0.000003973    0.000002294    9.946178678    1
  14      -0.000003447    0.000001990    8.628211523    2
  15       0.500000083    0.288675087   12.309706403    1
  16       0.500000610    0.288674782   10.989736258    2
  17       0.500001976    0.288673994    7.570299184    1
  18      -0.000004545    0.000002624   11.377982408    1
  19      -0.000005073    0.000002929   12.698119469    2
  20      -0.000008179    0.577354991    7.958378418    2
  21      -0.000008602    0.577355235    9.015956925    1
  22      -0.000009128    0.577355539   10.334090996    2
  23      -0.000002838    0.000001639    7.104437186    2
  24       0.500001213    0.288674435    9.480984344    2
  25      -0.000009731    0.577355887   11.843343658    2
  5.772298294E-01  5.773071795E-01  5.772545392E-01  5.773188601E-01  5.773067513E-01
  5.771967928E-01  5.774445006E-01  5.773231264E-01  5.774004831E-01  5.775318461E-01
  5.775734291E-01  5.774892435E-01  5.771917131E-01  5.771040644E-01  5.772759125E-01
  5.774782464E-01  5.773745405E-01  5.774782946E-01  5.772758591E-01  5.771041135E-01
  5.771917384E-01  5.774892353E-01  5.775733835E-01  5.775318541E-01  5.774005710E-01
  5.773231206E-01  5.774444094E-01  5.771967890E-01  5.773067493E-01  5.773188938E-01
  5.772544836E-01  5.773072330E-01  5.773072330E-01  5.773072332E-01  5.773751124E-01
  5.771342497E-01  5.772184821E-01  5.772746559E-01  5.775071669E-01  5.774817575E-01
  5.770753598E-01  5.772579022E-01  5.773176257E-01  5.773036116E-01  5.772402434E-01
  5.771482048E-01  5.773498542E-01  5.775592774E-01  5.771371869E-01  5.771372919E-01

Kind regards,

Kieran Song 		 	   		  
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