Subject: Lebedev-Laikov grids available

From: Huub van Dam <[email-masked]>
Date: Wed, 19 Apr 2000 11:20:32 +0100

Dear colleagues,

Following a discussion on CCL about the accuracy of the original Lebedev
grids a fortran implementation of the code required to generate the
recently recomputed Lebedev grids (16 digit precision) has been uploaded
to the CCL archive:

http://www.ccl.net/cca/software/SOURCES/FORTRAN/Lebedev-Laikov-Grids/

ftp://ftp.ccl.net/pub/chemistry/software/SOURCES/FORTRAN/Lebedev-Laikov-Grids/

The code implements the grids described in:

    V.I. Lebedev, and D.N. Laikov,
    "A quadrature formula for the sphere of the 131st algebraic order of
accuracy"
    Doklady Mathematics, Vol. 59, No. 3, 1999, pp. 477-481.

These routines are based on C code provided by Dmitri Laikov
([email-masked]). Christoph van Wuellen
([email-masked]) has made the effort to obtain
the code and convert it to Fortran77, and he obtained Dmitri's kind
permission to make the routines publically available.

Many thanks to Dmitri and Christoph for making the code available.

Huub van Dam

--

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Huub van Dam                               E-mail: [email-masked]
CCLRC Daresbury Laboratory                  phone: +44-1925-603362
Daresbury, Warrington                         fax: +44-1925-603634
Cheshire, UK
WA4 4AD

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