NCPS2K,NCPS2K+ page [NCPS2K+ page starts at 8/20, 2003][Update 9/25, 2023]
Information
- [Information] of NCPS2K (go to www.bandstructure.jp).
- [Recipe] for NCPS95 (Description of CD-R date, go to www.bandstructure.jp).
Distribution
- NCPS2K+ is not available at present.
- NCPS2K is available at present.
- At present, NCPS2K CD-R distribution is available.
- NCPS is numerical data (database). NCPS is NOT any codes and programs.
- CD-R Distribution (Only) with the exception of Os and Re
- Available for Windows and Linux OS
Specification, Characteristic
- Norm-conserving pseudopotential (Only)
- TM-type and BHS-type(Partially)
- Kleinman-Bylander separable form (<-- Numerical data)
- LDA (Only)
- PCC
Availability
- Author's routines[(J)Incomplete] (Forbid redistribution!)
- Dr. Arai's distribution package asse
Description
References
- K. Kobayashi, in Proceedings of the International Workshop on Computer Modeling and Simulation for Materials Design(CMSMD'96), 96-101(1996).[PDF](PDF, 164 kb)
- K. Kobayashi, Computational Material Science 14, 72(1999).
- K. Kobayashi, MATERIALS TRANSACTIONS, Vol. 42, No. 11, 2153(2001).
Online Distribution(trial)
(Numerical data format is equal to those of CD-R version.)
[Os_PZ_pcc.tar.gz](go to bandstructure.jp, Binary data, tar+gzip, 28 kb, Os pseudopotential with PCC and LDA: Perdew and Zunger)[No Warranty]
[Re_PZ_pcc.tar.gz](go to bandstructure.jp, Binary data, tar+gzip, 28 kb, Re pseudopotential with PCC and LDA: Perdew and Zunger)[No Warranty]
[Li_Wigner_pcc.tar.gz](go to bandstructure.jp, Binary data, tar+gzip, 26.4 kb, Li pseudopotential with PCC and LDA: Wigner)[No Warranty]
[P_Wigner.tar.gz](go to bandstructure.jp, Binary data, tar+gzip, 18.2 kb, P pseudopotential with LDA: Wigner)[No Warranty]
[newMg_pcc.tar.gz](go to bandstructure.jp, Binary data, tar+gzip, 28 kb, Mg pseudopotential with LDA: Wigner)[No Warranty]
[S_Wigner.tar.gz](go to bandstructure.jp, Binary data, tar+gzip, 18.3 kb, P pseudopotential with LDA: Wigner)[No Warranty]
[psw_051815.tar.gz](go to bandstructure.jp, Binary data, tar+gzip, 201.4 kb <- Pseudo wave functions of Al, As, B, Co, Cu, Mg, N, O, Sb, Si, Te and Ti)[No Warranty]
[psw_122816.tar.gz](go to bandstructure.jp, Binary data, tar+gzip, 252 kb <- Pseudo wave functions of Ga, Ta, Zr, V, Zn, Mo, W, Tl, Se, Ru, Rh, Tc, Os, Pd, Pb, and Nb)[No Warranty]
[psw_122717.tar.gz](go to bandstructure.jp, Binary data, tar+gzip, 160 kb <- Pseudo wave functions of Bi, Cr, Be, Ca, Sr, Hf, Ir, Pt, Au, and Po)[No Warranty] >-- Error of Ca pseudo wave functions(9/14, 2020)
[psw_122618.tar.gz](go to bandstructure.jp, Binary data, tar+gzip, 423 kb <- Pseudo wave functions of Sc, Ni(MJW), Ag, Cd, Ge, P, Re(PZ), H, Li, K, Rb, Cs, F, Cl, Br, I, He, Ne(No_pcc,pcc), Ar(No_pcc,pcc), Kr(No_pcc,pcc) and Xe(No_pcc,pcc))[No Warranty]
Link
Acknowledgements
The author wishes to thank Dr. M. Arai and Dr. T. Sasaki for their helpful advices and suggestions.
[C]opyright
(J):Japanese, K. Kobayashi: kobayashi.kazuaki-@-nims.go.jp :("-@-" --> "@")