On running pp.x with the namelist below trying to get a "cube gauss file" I
get the error listed below. No problem with other "output_format"s like 3
and/or 5.
***********************************************************
Program POST-PROC v.4.0 starts ...
Today is 14Feb2009 at 21:27:11
Calling punch_plot, plot_num = 0
Writing data to file af-CuO.rho_cube_2.rho
Reading data from file af-CuO.rho_cube_2.rho
Writing data to be plotted to file af-CuO.rho_cube_2.dat
Atom O1 not found
*************************************************************
&inputpp
prefix = 'af-CuO',
outdir =
'/home/pmpgrant/Research_Projects/DFT_Calculations/af_RS_CuO/CuO',
filplot = 'af-CuO.rho_cube_2.rho',
plot_num = 0,
spin_component = 2,
/
&plot
nfile = 1,
filepp(1) = 'af-CuO.rho_cube_2.rho',
weight(1) = 1.0,
iflag = 3,
output_format = 6,
fileout = 'af-CuO.rho_cube_2.dat',
/
Paul M. Grant, PhD
Principal, W2AGZ Technologies
Visiting Scholar, Applied Physics, Stanford (2005-2008)
EPRI Science Fellow (Retired)
IBM Research Staff Member Emeritus
w2agz at pacbell.net
http://www.w2agz.com <http://www.w2agz.com/>
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