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FPLAPW augmented plane wave

FPLAPW full-potential linearized augmented plane wave... [Pg.27]

The main area of application of XANES calculations is in structural research, and obviously the translational symmetry necessary for a A -space calculation of XANES is of limited use in this context. However A-space calculations on crystalline materials are of interest when investigating the influence of various approximations. Programs which find a DFT ground state and also have an option for a XANES calculation are now available from a number of sources, using full-potential linear augmented plane wave (FPLAPW) or linearized muffin-tin orbital (LMTO) schemes. To date none of these schemes include the effects of a core hole. [Pg.170]

See other pages where FPLAPW augmented plane wave is mentioned: [Pg.56]    [Pg.194]    [Pg.455]    [Pg.26]    [Pg.281]    [Pg.14]    [Pg.164]   
See also in sourсe #XX -- [ Pg.55 , Pg.57 , Pg.67 ]



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Augmentative

Augmented

Augmented plane wave

Augmenting

FPLAPW

Plane waves

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