Rsrc
J-GLOBAL ID:201110099486603353   Research Resource code:5000001768 Update date:May. 14, 2003

Norm preservation type pseudo-potential data base (NCPS95) and band calculation related data (publicized on the home page) Name NCPS95

ノルム保存型擬ポテンシャルデータベース(NCPS95)とバンド計算関連 データ(ホームページ上で公開中) 英語名 NCPS95
Owning Organization:
Contact: KOBAYASHI Kazuaki
Resource classification: Chemical substance, Material
Overview:
This home page is related to Norm preservation type
pseudo-potential data base and band calculation related data.
The band calculation is a method to theoretically (mainly
quantum dynamics) calculate an electron state mainly of solids.
The norm preservation type pseudo-potential data base is
one of potentials used in the band calculation and made by
considering only valence electrons of an atom.
(Effect of inner-shell electrons is almost negligible for
an ordinary solid substance.)
On the pseudo-potential database, only an explanation is
provided now and down load from the home page is not available,
and a CD-R write-in edition is now under preparation instead.
(Refer to the home page in detail.)
User environment and conditions:
A proper FORTRAN compiler and a relatively large size
computer resources are required.
User procedures and method:
[Procedure for Use]
Basically anyone can freely use.
(No procedure is required, but a contact is appreciated.)
[Charge for Use]
Free
[Qualification]
None
[Restriction for use]
Forbidden are redistribution, commercial uses, improper
uses, etc.
Refer to the home page (http://www.nirim.go.jp/〜kobayak)
in detail.

Return to Previous Page