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Density of States (DOS)

Select ``Density of States (DOS)'' from the ``Tasks'' menu and click on the buttons one by one:

If you want to use the supplied plotting interface dosplot to preview the results, the program gnuplot (public domain) must be installed on your computer.

The calculated DOS can be compared with figures 3.8 to 3.13 if you select a range of -12 to 2 eV. To calculate DOS for higher energies, you will have to increase EMAX in case.in1 and rerun x lapw1.





Figure 3.8: TiC: total DOS
Figure 3.9: TiC: C partial s-DOS
Figure 3.10: TiC: C partial p-DOS




Figure 3.11: TiC: Ti partial d-DOS

Figure 3.12: TiC: Ti partial eg-DOS

Figure 3.13: TiC: Ti partial t2g-DOS





next up previous contents
Next: X-ray spectra Up: Calculating properties Previous: Electron density plots

2000-04-11