Projector-augmented wave method

Kresse, G. and Joubert, D. (1999) From ultrasoft pseudopotentials to the projector augmented-wave method. Physical Review B - Condensed Matter, 59, 1758-1775. 

Blochl, P. E., Margl, P, Schwarz, K., 1996, Ab Initio Molecular Dynamics With the Projector Augmented Wave Method in Chemical Applications of Density Functional Theory, Laird, B. B., Ross, R. B., Ziegler, T. (eds.), American Chemical Society, Washington DC. 

G. Kresse and D. Joubert, From Ultrasoft Pseudopotentials to the Projector Augmented-Wave Method, Phys. Rev. B 59 (1999), 1758. 

H. M. Petrilli, P. E. Blochl, P. Blaha and K. Schwarz, Electric-field-gradient calculations using the projector augmented wave method. Phys. Rev. B, 1998,57,14690-14697. 

Blochl PE, Forst CJ, Schimpl J, The Projector Augmented Wave Method Ab-initio Molecular Dynamics Simulations with Full Wave Functions, Bull Mater Sci 26, 33 (2003)... 

Blochl PE, Projector augmented-wave method, Phys Rev B, 50 17953 (1994)... 

Furthermore, a chapter which discusses different ways to perform calculations for disordered systems is presented, including a description of the Coherent Potential Approximation and the Screened Generalized Perturbation Method. A comparison between the Exact Muffin-Tin Orbital method and the Projector Augmented-Wave method in the case of systems exhibiting both compositional and magnetic disordered is included as well as a case study of the MoRu alloy, where the theoretical and experimental discrepancies are discussed. 

Blochl P E 1994 Projector augmented-wave method Phys. Rev. B 50 17 953... 

Implementation of an All-Electron GW Approximation Based on the Projector Augmented Wave Method without Plasmon Pole Approximation to Si, SiC, AlAs, InAs, NaH and KH. 

S. E. Ashbrook, J.M. Griffin, J.R. Yates, F. Mauri, C.J. Pickar, First-principles calculation of NMR parameters using the gauge including projector augmented wave method a chemist s point of view, Chem. Rev. 112 (2012) 5733—5779. 

Space Grid Implementation of the Projector Augmented Wave Method. 

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