[Wien] Error an Electron Density Plots
M. Mahendran (Assoc Prof)
manickam-mahendran at tce.edu
Mon Jun 20 15:14:14 CEST 2011
Dear WIEN2k users,
I am trying to do a Electron Density Plots using XCrySDen software,
During the calculation, I followed the instruction given by User guide,
but I am unable to get output, it's shows an error like this,
"/wien2k/filename/filename.output5" while trying to render wnDensity
what I did so far, given below
> 2D plot
> Resolution --> 100
> Select 3 atoms in XCrySDen (Three-atoms spanning parallelogram selection)
> Update display and Click Submit
> wnDensity - Specify flags box is open
> Finally the above mentioned error occurred
Please guide me, how to do Electron Density Plots, what are the steps
required ???
Thanks to WIEN2k Users,
Mahendran M
Smart Materials Lab,
Thiagarajar College of Engineering
Madurai
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Thiagarajar College of Engineering
Madurai-625 015, India
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