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Symmetry and band structure I. Selection of reciprocal lattice vectors

✍ Scribed by V. Hoffstein; O. Moller


Publisher
Elsevier Science
Year
1971
Tongue
English
Weight
370 KB
Volume
2
Category
Article
ISSN
0010-4655

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✦ Synopsis


Title of program (32 characters maximum): SYMMETRY AND BAND STRUCTURE 1 Catalogue number: ACMD Computer for which the program is designed and others upon which it is operable Computer: IBM 360/50. Installation: Polytechnic Institute of Brooklyn Operating system OY monitor under which the program is executed: OS 360/50, WATFOR compiler Programming languages used: FORTRAN IV High speed store requiree: 61167 words. No. of bits in a word: 32 Is the program overlaid? No No. of magnetic tapes required: None What oUer peripherals are used? Card Reader; Line Printer No. of cards in combined progmm and test deck: 397


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Lattice dynamics of crystals of the calc
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## Abstract Normal frequencies and normal modes of the lattice vibrations for the wave vector |**__y__**| = 0 have been calculated for the isomorphic series of NaNO~3~, CaCO~3~, and MgCO~3~. The calculated frequencies of the infrared‐ and Raman‐active modes have been fitted to the experimentally kn