[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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