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NEA-0484 S1CALC.

S1CALC, Scattering Law for Delta Function or Gaussian Phonon Spectra

NAME OR DESIGNATION OF PROGRAM, COMPUTER, PROBLEM, SOLUTION, RESTRICTIONS ON THE COMPLEXITY OF THE PROBLEM, TYPICAL RUNNING TIME, FEATURES, RELATED AND AUXILIARY PROGRAMS, STATUS, REFERENCES, MACHINE REQUIREMENTS, LANGUAGE, OPERATING SYSTEM OR MONITOR UNDER WHICH PROGRAM IS EXECUTED, OTHER RESTRICTIONS, NAME AND ESTABLISHMENT OF AUTHOR, MATERIAL, CATEGORIES
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1. NAME OR DESIGNATION OF PROGRAM:  S1CALC.
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2. COMPUTERS
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Program name Package id Status Status date
S1CALC NEA-0484/01 Tested 01-NOV-1978

Machines used:

Package ID Orig. computer Test computer
NEA-0484/01 IBM 360 series IBM 360 series
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3. DESCRIPTION OF PROGRAM OR FUNCTION

NATURE OF PHYSICAL PROBLEM SOLVED. Calculates the scattering law S(alpha,beta) for a phonon frequency function consisting of a delta  function at the origin or a Gaussian at the origin. The latter is used to represent diffusive motion.
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4. METHODS: METHOD OF SOLUTION
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5. RESTRICTIONS ON THE COMPLEXITY OF THE PROBLEM

Array sizes can be increased fairly easily. Currently calculates data for a matrix of up to 90 alpha and 90 beta values.
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6. TYPICAL RUNNING TIME

3 minutes (ICL 470) to compute and write to magnetic tape the S(alpha,beta) for a 90 x 90 (alpha,beta) mesh and  a delta function frequency spectrum.
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7. UNUSUAL FEATURES: UNUSUAL FEATURES OF THE PROGRAM
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8. RELATED AND AUXILIARY PROGRAMS:  ADDELT, LEAP.
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9. STATUS
Package ID Status date Status
NEA-0484/01 01-NOV-1978 Tested at NEADB
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10. REFERENCES
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11. MACHINE REQUIREMENTS

High speed memory - amount depends on array sizes.
Input and output magnetic tapes.
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12. PROGRAMMING LANGUAGE(S) USED
Package ID Computer language
NEA-0484/01 FORTRAN-IV
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13. OPERATING SYSTEM OR MONITOR UNDER WHICH PROGRAM IS EXECUTED:  Operational on ICL system 4 but transportable.
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14. OTHER PROGRAMMING OR OPERATING INFORMATION OR RESTRICTIONS

ANY OTHER PROGRAMMING OR OPERATING INFORMATION OR RESTRICTIONS
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15. NAME AND ESTABLISHMENT OF AUTHOR

    A.T.D. Butland
    AEE Winfrith
    Dorchester, Dorset, United Kingdom.
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16. MATERIAL AVAILABLE
NEA-0484/01
File name File description Records
NEA0484_01.001 INFORMATION 4
NEA0484_01.002 SOURCE PROGRAM (F4,EBCDIC) 134
NEA0484_01.003 DD CARD FOR THE EXECUTION 2
NEA0484_01.004 SAMPLE PROBLEM INPUT DATA 118
NEA0484_01.005 SAMPLE PROBLEM PRINTED OUTPUT 3000
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17. CATEGORIES
  • A. Cross Section and Resonance Integral Calculations

Keywords: Gauss function, phonons, scattering law.