[Wien] Plotting the .rho file
Joshua Davis
davis101 at chemistry.msu.edu
Tue Aug 21 00:03:02 CEST 2012
Hey Wien2K Users
I just have a general question about the density generated by lapw 5. Do
any of you have any recommendations for plotting the .rho data outputted by
this program, preferably something other that gnuplot or xcrysden. I have
also tried the method shown here at
http://www.nims.go.jp/cmsc/staff/arai/wien/venus.html, but it has been
unfruitful.
other info:
Our Wien2K is 11.1 and it was compiled with gfortran 4.6.1 on Ubuntu 12.04
Our hardware consists of 24 6-core processors with 48 Gbs of ram and
48 Gbs of scratch.
I believe our BLAS library is the one supplied
with Wien2K.
any suggestions would be appreciated
Josh
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