[Pw_forum] iflag=1, output_format=0

Chad Junkermeier junkermeier at yahoo.com
Fri Apr 2 19:34:02 CEST 2010


Hi,
 I am trying to produce a plot of the potential along some vector.  As far as I can tell I am using all of the proper commands to do this.  But the output  ends up being the same as the output for a 3D plot.  I have looked at INPUT_PP.html and previous forum messages but I don't see anything that tells me where I am going wrong.  I include a listing of the file that I am using to run pp.x as well as the first 20 odd lines from the output file that was produced by pp.x.



Chad Junkermeier, Ph.D.
NRC Post-Doctoral Associate
Naval Research Laboratory
4555 Overlook Ave, S.W.
Washington DC 20375

--------------------------------------File used to run PP--------------------------------------
&inputPP
  outdir='/somedirectory/',
  plot_num=11
  filplot = 'system.pot'
 prefix='system'
/
&plot
  iflag=1,
  output_format=0
  e1(1) = 0.1666666667,
  e1(2) = 0.3333333333,
  e1(3) = 1.0,
  x0(1) = 0.1666666667,
  x0(2) = 0.3333333333,
  x0(3) = 0.0,
  nx = 30,
/


--------------------------------------OUTPUT-------------------------------------------
    120     120     540     120     120     540       4       2
    4  9.80000000  0.00000000  4.74489796  0.00000000  0.00000000  0.00000000
    2919.2659431030        4.0000000000      300.0000000000    11
  1   C     4.00
  2   F     7.00
  1       0.000000000    0.000000000    0.046638636    1
  2       0.000000000    0.577350269   -0.046638636    1
  3       0.000000000    0.000000000    0.314784179    2
  4       0.000000000    0.577350269   -0.314784179    2
-9.096756667E+00 -8.995541503E+00 -8.698802996E+00 -8.228148056E+00 -7.617132192E+00
-6.899775019E+00 -6.105117728E+00 -5.266900369E+00 -4.426489702E+00 -3.631924483E+00
-2.950202255E+00 -2.425718709E+00 -2.020466228E+00 -1.681320250E+00 -1.398244426E+00
-1.162559046E+00 -9.650982679E-01 -8.010643304E-01 -6.634409389E-01 -5.490599505E-01
-4.532133969E-01 -3.730915748E-01 -3.061221943E-01 -2.498868814E-01 -2.029587705E-01
-1.634065045E-01 -1.304753941E-01 -1.026662013E-01 -7.951487978E-02 -6.014058861E-02


      
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