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Topic Title: FPLO
Topic Summary: FPLO Team. Full-potential local-orbital minimum-basis code (Fee)
Created On: 2/7/2007 8:54 PM

 2/7/2007 8:54 PM

Cathy Rohrer

Posts: 584
Joined: 2/6/2007

The FPLO® package is a full-potential local-orbital minimum-basis code to solve the Kohn-Sham equations on a regular lattice using the local spin density approximation (LSDA). The situation of a chemically disordered structure is covered by a CPA solver, relativistic effects can be treated in a related 4-component code, and the LSDA+U formalism is implemented. FPLO-7 runs on Unix-like systems and is written in C and Fortran90.

Citation: "FPLO Homepage," FPLO Team. Last updated December 20, 2007.

Launch Site

Sample publications:
• Ozdogan K, Sasioglu E, Galanakis I, "Engineering the electronic, magnetic, and gap-related properties of the quinternary half-metallic Heusler alloys," J. Appl. Phys., 103, 023503 (2008).
• R. Gumeniuk, W. Schnelle, H. Rosner, M. Nicklas, A. Leithe-Jasper, Yu Grin, "Superconductivity in the Platinum Germanides MPt_4Ge_12 (M=Rare-Earth or Alkaline-Earth Metal) with Filled Skutterudite Structure,"
Phys. Rev. Lett., 100 (2008) 017002.
• T. Chanier, I. Opahle, M. Sargolzaei, R. Hayn, M. Lannoo, "Magnetig State around Cation Vacancies in II-VI Semiconductors," Phys. Rev. Lett., 100 (2008) 026405.
• E. Voloshina, B. Paulus, "Wave-function-based ab initio method for metals: Application of the incremental scheme to magnesium," Phys. Rev. B, 75, 245117 (2007)

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