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
Chemical substance, Material
This home page is related to Norm preservation type
User environment and conditions：
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.)
A proper FORTRAN compiler and a relatively large size
User procedures and method：
computer resources are required.
[Procedure for Use]
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Basically anyone can freely use.
(No procedure is required, but a contact is appreciated.)
[Charge for Use]
[Restriction for use]
Forbidden are redistribution, commercial uses, improper
Refer to the home page (http://www.nirim.go.jp/〜kobayak)