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Beltran L, V.; Gonzalez T, L.
Instituto Nacional de Investigaciones Nucleares, Ocoyoacac (Mexico)1991
Instituto Nacional de Investigaciones Nucleares, Ocoyoacac (Mexico)1991
AbstractAbstract
[en] 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 magnetic resonance (NMR) from a crystal with quadrupole interaction, is introduced. Powderspec can be used over the full range 0 to 1/3 of the orthorhombic field parameter λ = E/D, or that of the equivalent asymmetry parameter , η, 0 to 1, which is used in NMR work. This program is about 60 times faster than those based on the 'grid' or on the Monte Carlo methods. It also produces very smooth powder patterns and spectra capable of revealing fine spectral features. (Author)
Original Title
Fundamentos fisicos, instrucciones de uso y aplicaciones del programa Powderspec
Primary Subject
Source
Sep 1991; 24 p; INIS-MX-RI--0240
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