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POWDERSPEC, a program for efficient simulation of isotropic EPR spectra

✍ Scribed by Virgilio Beltrán-López; L. González-Tovany

Publisher
Elsevier Science
Year
1992
Tongue
English
Weight
466 KB
Volume
69
Category
Article
ISSN
0010-4655

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✦ Synopsis

A simple FORTRAN program, called POWDERSPEC, for simulating the second-order powder patterns and the electron paramagnetic resonance (EPR) spectra of ions in an orthorhombic crystal field, or nuclear resonance (NMR) from a crystal with quadrupole interaction, is introduced. POWDERSPEC can be used over the full range, 0 to ~, of the orthorhombic field parameter A = E/D, or that of the equivalent asymmetry parameter s~, 0 to 1, which is used in NMR work. This program is quite fast and produces very smooth powder patterns, and spectra capable of revealing fine spectral features.

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