Computer Programs
NEA-0479 LEAP.
last modified: 01-APR-1979 | catalog | categories | new | search |

NEA-0479 LEAP.

LEAP, Scattering Law for Continuous Phonon Spectra

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1. NAME OR DESIGNATION OF PROGRAM:  LEAP.
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2. COMPUTERS
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Program name Package id Status Status date
LEAP NEA-0479/01 Tested 01-APR-1979

Machines used:

Package ID Orig. computer Test computer
NEA-0479/01 IBM 360 series IBM 360 series
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3. NATURE OF PHYSICAL PROBLEM SOLVED

The scattering law S(alpha,beta)  for an input continuous or piece-wise continuous phonon frequency function rho(beta) is calculated.
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4. METHOD OF SOLUTION

The phonon expansion and steepest descents methods described in AERE R 3803 (UKAEA report) are used.
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5. RESTRICTIONS ON THE COMPLEXITY OF THE PROBLEM

The arrays can easily be increased in size to incorporate larger problems. Currently the output S(alpha,beta) can be described using a 90 x 90 alpha/beta mesh.
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6. TYPICAL RUNNING TIME

8 minutes (ICL 470) to calculate and write to  magnetic tape an S(alpha,beta) function for graphite at 90 x 90 (alpha,beta) mesh points.
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7. UNUSUAL FEATURES OF THE PROGRAM

Particularly suitable for dealing with neutron scattering from solids.
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8. RELATED AND AUXILIARY PROGRAMS:  ADDELT. PIXSE.
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9. STATUS
Package ID Status date Status
NEA-0479/01 01-APR-1979 Tested at NEADB
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10. REFERENCES: - AEEW M 1200 (UKAEA Report).
- AERE R 3803 (UKAEA Report).
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11. HARDWARE REQUIREMENTS

MACHINE REQUIREMENTS.
One work disc.
Clock subroutine.
High speed memory - amount depends on array sizes.
Output magnetic tape unit.
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12. PROGRAMMING LANGUAGE(S) USED
Package ID Computer language
NEA-0479/01 FORTRAN-IV
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13. OPERATING SYSTEM OR MONITOR UNDER WHICH PROGRAM IS EXECUTED

Operating on ICL system 4 but written to be transportable to other operating systems.
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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

Original author - R.C.F. McLatchie
                  AERE Harwell
                  Didcot
                  Oxfordshire
                  United Kingdom

Subsequent author - A.T.D. Butland
                    AEEW Winfrith
                    Dorchester
                    Dorset
                    United Kingdom.
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16. MATERIAL AVAILABLE
NEA-0479/01
File name File description Records
NEA0479_01.002 INFORMATION FILE 22
NEA0479_01.003 SOURCE PROGRAM -- L01 (F4,EBCDIC) 1235
NEA0479_01.004 SOURCE PROGRAM -- L02 (F4,EBCDIC) 199
NEA0479_01.005 SOURCE PROGRAM -- L05 (F4,EBCDIC) 74
NEA0479_01.006 SOURCE PROGRAM -- L11 (F4,EBCDIC) 75
NEA0479_01.007 SOURCE PROGRAM -- L24 (F4,EBCDIC) 241
NEA0479_01.008 SOURCE PROGRAM -- L30 (F4,EBCDIC) 288
NEA0479_01.009 SOURCE PROGRAM -- L31 (F4,EBCDIC) 26
NEA0479_01.010 SOURCE PROGRAM -- L32 (F4,EBCDIC) 33
NEA0479_01.011 SOURCE PROGRAM -- L34 (F4,EBCDIC) 202
NEA0479_01.012 SOURCE PROGRAM -- L35 (F4,EBCDIC) 65
NEA0479_01.013 SOURCE PROGRAM -- L36 (F4,EBCDIC) 228
NEA0479_01.014 SOURCE PROGRAM -- TIMER (F4,EBCDIC) 17
NEA0479_01.015 SOURCE PROGRAM -- CALPIN (ASSEMBLER) 99
NEA0479_01.016 SAMPLE PROBLEM CASE 1 -- OVERLAY CARDS 11
NEA0479_01.017 SAMPLE PROBLEM CASE 1 -- INPUT DATA 19
NEA0479_01.018 SAMPLE PROBLEM CASE 1 -- PRINTED OUTPUT 197
NEA0479_01.019 SAMPLE PROBLEM CASE 2 -- OVERLAY CARDS 11
NEA0479_01.020 SAMPLE PROBLEM CASE 2 -- INPUT DATA 23
NEA0479_01.021 SAMPLE PROBLEM CASE 2 -- PRINTED OUTPUT 289
NEA0479_01.022 JCL 46
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17. CATEGORIES
  • A. Cross Section and Resonance Integral Calculations

Keywords: lattice vibrations, neutrons, phonons, scattering law, solids.