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Symmetry and band structure II. Storage and retrieval of group theoretical information
C-59 COMPUTER PHYSICS COMMUNICATIONS 2 (1971) 17-25. NORTH-HOLLAND PUBLISHING COMPANY
SYMMETRY II.
STORAGE
AND
RETRIEVAL
AND OF
BAND
STRUCTURE
GROUP
THEORETICAL
INFORMATION
*
V. H O F F S T E I N ** and O. M O L L E R ***
Physics Department, Polytechnic Institute of Brooklyn, Brooklyn, New York 11201, USA Received 20 July 1970
Title of program (32 c h a r a c t e r s maximum): SYMMETRY AND BAND STRUCTURE 2 Catalogue number: ACME 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 or monitor under which the l~.rogram is executed: (IS 360/50, WATFOR c o m p i l e r Programming languages used: FORTRAN IV High speed store required: 7056 words. No. of bits in a word: 32 Is the program overlaid? No No. of magnetic tapes required: None What other peripherals are used? Card Reader; Line P r i n t e r No. of cards in combined program and test deck: 528 Keywords descriptive of problem and method of solution: Solid State, Symmetry, Band Structure, Group Theory. Nature of the physical problem The second section of a p r o g r a m to p e r f o r m the s y m m e t r y p a r t of band s t r u c t u r e calculation. This p a r t accepts the Luehrmann tables [1] as input and s t o r e s them in an appropriate manner permitting easy a c c e s s to any element in the table.
Method of solution Expansion of the wave function in t e r m s of s y m m e trized plane waves.
Restrictions on the complexity of the problem Limited to cubic lattices.
Typical running time 8-15 seconds.
Reference [1] A.W. Luehrmann, Advan. Phys. 17 (1868) 65. 1.
* Work supported by U.S. Air F o r c e , Office of Scientific Research, grant number AFOSR 1709-69. ** P r e s e n t a d d r e s s : Laboratoire de Spectrom6tr~e Physique, CEDEX 53, 38-Grenob[e-Gare, F r a n c e . *** Since the acceptance cf this paper for publication Dr. O. Moiler was tragically killed in an automobile accident.
SYMMETRY II.
STORAGE
AND
RETRIEVAL
AND OF
BAND
STRUCTURE
GROUP
THEORETICAL
INFORMATION
*
V. H O F F S T E I N ** and O. M O L L E R ***
Physics Department, Polytechnic Institute of Brooklyn, Brooklyn, New York 11201, USA Received 20 July 1970
Title of program (32 c h a r a c t e r s maximum): SYMMETRY AND BAND STRUCTURE 2 Catalogue number: ACME 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 or monitor under which the l~.rogram is executed: (IS 360/50, WATFOR c o m p i l e r Programming languages used: FORTRAN IV High speed store required: 7056 words. No. of bits in a word: 32 Is the program overlaid? No No. of magnetic tapes required: None What other peripherals are used? Card Reader; Line P r i n t e r No. of cards in combined program and test deck: 528 Keywords descriptive of problem and method of solution: Solid State, Symmetry, Band Structure, Group Theory. Nature of the physical problem The second section of a p r o g r a m to p e r f o r m the s y m m e t r y p a r t of band s t r u c t u r e calculation. This p a r t accepts the Luehrmann tables [1] as input and s t o r e s them in an appropriate manner permitting easy a c c e s s to any element in the table.
Method of solution Expansion of the wave function in t e r m s of s y m m e trized plane waves.
Restrictions on the complexity of the problem Limited to cubic lattices.
Typical running time 8-15 seconds.
Reference [1] A.W. Luehrmann, Advan. Phys. 17 (1868) 65. 1.
* Work supported by U.S. Air F o r c e , Office of Scientific Research, grant number AFOSR 1709-69. ** P r e s e n t a d d r e s s : Laboratoire de Spectrom6tr~e Physique, CEDEX 53, 38-Grenob[e-Gare, F r a n c e . *** Since the acceptance cf this paper for publication Dr. O. Moiler was tragically killed in an automobile accident.