[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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