FP-LAPW

Petersen M, Wagner F, Hufnagei L, Soheffler M, Biaha P and Sohwarz K 2000 improving the effioienoy of FP-LAPW oaiouiations Comp. Phys. Commun. 126 294-309... 

Figure 1. The effective pair interactions as functions of alloy composition for the alloy system Al-Ni. The results of the CWIS based on the FP-LAPW calculations for 5 ordered structures (full line) and on the TB-LMTO-CPA for 5 disordered alloys (dash line) are compared with the the results of the GPM (dotted line).

Rajagopal S, Bekenev VL, Nataraj D, Mangalaraj D, Khyzhun OY (2010) Electronic structure of FeW04 and C0WO4 tungstates First-principles FP-LAPW calculations and X-ray... 

In molecular quantum chemistry two types of atomic-like basis sets are used Slater-type orbitals (STO) and Gaussian-type orbitals (GTO). In fact, it is not really correct to call them orbitals . They are better described as basis-set functions, since they are Slater-type or Gaussian-type functions used to approximate the shapes of the orbitals defined as one-electron wavefunctions. Using the acronyms accepted in sohd-state theory it would be possible even call LCAO methods for crystals to all-electron or full potential hnear combination of Slater (Gaussian)-type functions FP LS(G)TF method [458], compare with the acronym FP LAPW (full potential linear combination of angmented plane waves). 

A half-metallic character has been proposed in another spinel oxide, LiCr204, by spin-polarised first principles density functional calculations (Figure 5.8). Both full potential linearised augmented plane-wave (FP-LAPW) and the LMTO methods were used to calculate the band structures. The lattice and other internal parameters for the cubic spinel structure were optimised with FP-LAPW calculations and subsequently the optimised parameters were used in the band structure calculations. Flowever, the experimental realisation of Li(Cr " " " )204 is still a challenge to confirm its predicted electronic and magnetic properties. 

Table 2.1 Bulk properties ofAl, Cu, Pd, and Ag, as computed from DFT with the LDA, PBE, TPSS, and PBEO exchange-correlation functionals. All data is taken from Refs. [39, 66], and [67]. Ref [66] is an all-electron study with a Gaussian basis set. Data from Ref [39] has been obtained with the plane-wave plus PAW method and data from Ref [67] has been obtained with the FP-LAPW method. The experimental values in parenthesis have been corrected for zero-point effects. 

---