Computer Programs

NEA-0480 ADDELT.

NEA-0480 ADDELT.

ADDELT, Scattering Law Correlation for Delta Function 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: ADDELT.

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2. COMPUTERS

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Program name	Package id	Status	Status date
ADDELT	NEA-0480/01	Tested	01-APR-1979

Machines used:

Package ID	Orig. computer	Test computer
NEA-0480/01	IBM 360 series	IBM 360 series

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3. NATURE OF PHYSICAL PROBLEM SOLVED

An input scattering law s(alpha,beta) is read and the effects of delta functions in the phonon frequency function are added.

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4. METHOD OF SOLUTION: See AEEW - M 1200 (UKAEA Report).

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5. RESTRICTIONS ON THE COMPLEXITY OF THE PROBLEM

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

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6. TYPICAL RUNNING TIME

3 minutes on ICL 470 to add the effects of 3 delta functions to an input S(alpha,beta) represented at 90 x 90 alpha/beta mesh points.

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7. UNUSUAL FEATURES OF THE PROGRAM

Deals with delta functions in the phonon frequency function.

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8. RELATED AND AUXILIARY PROGRAMS: LEAP. S1CALC. PIXSE.

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9. STATUS

Package ID	Status date	Status
NEA-0480/01	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

2 work discs.
CLOCK subroutine.
High speed memory - amount depends on array sizes.
Input and output magnetic tape units.

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12. PROGRAMMING LANGUAGE(S) USED

Package ID	Computer language
NEA-0480/01	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-0480/01

File name	File description	Records
NEA0480_01.002	INFORMATION	22
NEA0480_01.003	SOURCE PROGRAM -- L30 (F4,EBCDIC)	288
NEA0480_01.004	SOURCE PROGRAM -- L37 (F4,EBCDIC)	255
NEA0480_01.005	SOURCE PROGRAM -- CALPIN (ASSEMBLER)	99
NEA0480_01.006	OVERLAY CARDS	4
NEA0480_01.007	SAMPLE PROBLEM INPUT DATA	4
NEA0480_01.008	SAMPLE PROBLEM PRINTED OUTPUT	11018
NEA0480_01.009	JCL	46

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17. CATEGORIES

A. Cross Section and Resonance Integral Calculations

Keywords: lattice vibrations, phonons, scattering law.