[Wien] bandstructure Ene plotting
Michael Gurnett
michael.gurnett at kau.se
Fri Feb 11 12:48:14 CET 2005
When I try to import the bandstructure into Excel/origin I get the following
bandindex: 400
0 0 0 0 -5.50738
0.00785 0 0 0.00785 -5.51545
0.0157 0 0 0.0157 -5.53887
0.02355 0 0 0.02355 -5.49325
0.0314 0 0 0.0314 -5.42407
0.03925 0 0 0.03925 -5.34579
0.0471 0 0 0.0471 -5.26406
0.05496 0 0 0.05496 -5.20248
0.06281 0 0 0.06281 -5.20804
0.07066 0 0 0.07066 -5.2033
0.07851 0 0 0.07851 -5.17404
0.08636 0 0 0.08636 -5.12139
0.09421 0 0 0.09421 -5.0601
0.10206 0 0 0.10206 -4.99918
0.10991 0 0 0.10991 -4.94234
0.11776 0 0 0.11776 -4.8917
0.12561 0 0 0.12561 -4.84866
0.13346 0 0 0.13346 -4.81434
0.14131 0 0 0.14131 -4.80189
0.14916 0 0 0.14916 -4.80282
0.15702 0 0 0.15702 -4.80319
0.15701 0.02719 0 0.23552 -4.8159
0.15702 0.05439 0 0.26272 -4.85569
0.15702 0.08159 0 0.28992 -4.92673
I try to plot this, but it does not correspond to the ps file created. Unfortuantly the ps file crashes after its drawn half of it so its hard to studt closely.
What values do I use to plot the band. I thought it was the last two columns, but this does not seem to be correct, bas on the plot compared to what I observe in the ps file before it crashes.
Michael
-------------- next part --------------
An HTML attachment was scrubbed...
URL: http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20050211/55b54703/attachment.html
More information about the Wien
mailing list