POWDERSPEC 2, a library of new programs for efficient simulation of powder EPR spectra

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

• Publisher: Elsevier Science
• Year: 1994
• Tongue: English
• Weight: 713 KB
• Volume: 79
• Category: Article
• ISSN: 0010-4655
• DOI: 10.1016/0010-4655(94)90192-9

✦ Synopsis

POWDERSPEC 2 is a library of Fortran programs, AXIPRO, AXIANI and CUBIC, for simulating second order powder patterns and electron paramagnetic resonance (EPR) spectra of ions in various important crystal field symmetries. These are the following: AXIPRO is for any spin in axial symmetry. It includes the angle-dependent transition probability for S = AXIANI is for axial symmetry with axially anisotropic g and A tensors, for S = ~. CUBIC is for cubic symmetry, with isotropic hyperfine interaction, for S = These programs, like POWDERSPEC, their predecessor for orthorhombic symmetry, run in a few minutes on a PC with numeric co-processor. They are capable of producing very smooth powder patterns and spectra which can be recorded with currently available graph programs such as LOTUS, SIGMAPLOT or GRAPHER.