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U.W. Bangor - School of Informatics - Mathematics Preprints 1995

Computational Materials Science


95.19 : DAVIES, B.L., DIRL R., JANOVEC, V. & ZIKMUND, Z.

PC Software for crystallographic space groups and its application in symmetry analysis of domain structures

Published in:

International Symposium on Ferroic Domains and Mesoscopic Structures -- ISFD4, Wien, Austria, 1996, Ferroelectrics, 191 (1996) 1-7.


95.20 : DAVIES, B.L., DIRL R., JANOVEC, V. & ZIKMUND, Z.

MS-Windows Software for Space Groups:
Application to Domain Structure Symmetry Analysis

Published in:

International Union of Crystallography, XVII Congress and General Assembly, Seattle, Washington, USA, August 8-17, 1996, Collected Abstracts Acta Cryst. A 52 (Supplement), 1996, C441.


95.21 : DIRL R., PAYER, K. & DAVIES, B.L.

Symmetrized plane waves: 1. Symmorphic space groups

Published in:

Comput. Phys. Commun., 98 (1996) 52-72.


95.22 : DIRL R., PAYER, K. & DAVIES, B.L.

Symmetrized plane waves: 2. Symmetrized Pm3m-plane waves

Published in:

Comput. Phys. Commun., 98 (1996) 73-82.


95.23 : DIRL R., PAYER, K. & DAVIES, B.L.

Symmetrized plane waves: 3. Non-symmorphic space groups

Published in:

Comput. Phys. Commun., 98 (1996) 83-97.


95.24 : DIRL R., PAYER, K. & DAVIES, B.L.

Symmetrized plane waves: 4. Symmetrized Pm3n-plane waves

Published in:

Comput. Phys. Commun., 98 (1996) 98-110.


95.25 : SAINT-GREGOIRE, P., JANOVEC, V. & DAVIES, B.L.

Primary and secondary domain states in the simple cubic phase of C60

Published in:

8th International Symposium on Ferroelectricity, Ferroelectrics 185 (1996) 71-76.


95.26 : ZEINER, P., DIRL R. & DAVIES, B.L.

Non-linear Berry phases for simple band representations

Published in:

Phys. Rev. B, 54 (1996) 2466-2470.


95.27 : ZEINER, P., DIRL R. & DAVIES, B.L.

Non-linear Berry phases for simple band representations
II. Bloch and Wannier functions composed of Gaussian orbitals

Published in:

Phys. Rev. B, 54 (1996) 16646-16653.

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