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List of Figures
Partitioning of the unit cell into atomic spheres (I) and an interstitial region (II)
TiC in the sodium chloride structure. This plot was generated using BALSAC (!dv see
9.7.1
). Interface programs between and BALSAC are available on request.
Main window of
of
File of input files
Analysis window of WIEN in a BOX
Task ``Electron Density Plots''
Electron density of TiC in [110] plane
TiC: total DOS
TiC: C partial s-DOS
TiC: C partial p-DOS
TiC: Ti partial d-DOS
TiC: Ti partial eg-DOS
TiC: Ti partial
t
2
g
-DOS
Ti
L
III
spectrum of TiC
Bandstructure of TiC
Bandstructure of TiC, showing t2g-character bands of Ti in character plotting mode
Energy vs. volume curve for TiC
Data flow during a SCF cycle (programX.def, case.struct, case.inX, case.outputX and optional files are omitted)
Program flow in WIEN97
Flow chart of lapw1para
Flow chart of lapw2para
Schematic dependence of DOS and
u
l
(
r
,
E
l
) on the energy
3D electron density in TiC generated with XCrysDen
Introduction
2000-04-11