Computer Programs

NEA-0479 LEAP.

NEA-0479 LEAP.

LEAP, Scattering Law for Continuous Phonon Spectra

NAME OR DESIGNATION OF PROGRAM, COMPUTER, NATURE OF PHYSICAL PROBLEM SOLVED, METHOD OF SOLUTION, RESTRICTIONS ON THE COMPLEXITY OF THE PROBLEM, TYPICAL RUNNING TIME, UNUSUAL FEATURES OF THE PROGRAM, 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: LEAP.

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2. COMPUTERS

To submit a request, click below on the link of the version you wish to order. Rules for end-users are available here.

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. 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

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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.