[Wien] Confusion regarding No shape approximation in FP-LAPW

Zaid raheskoon at gmail.com
Tue May 7 05:42:29 CEST 2013


Respected Community Members

In FP-LAPW method no shape approximation on the potential or on the
electronic charge density
is made.

But I read another statement

''In FP-LAPW approach the potential is expanded in two regions in such away
that (a) inside the atomic sphere it is in the lattice harmonics and (b)
inside interstitial region as Fourier series'' which suggest that there is
still shape approximation interms of  atomic sphere (MT) and Interstitial
region.

Best wishes
Zaid
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