Relaxation of crystals with the quasi-Newton method (Q676349)

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Relaxation of crystals with the quasi-Newton method
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    Relaxation of crystals with the quasi-Newton method (English)
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    16 March 1997
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    The authors present a relaxation scheme for crystals with the quasi-Newton method. The method preserves the crystal structure during relaxation. The efficiency of the method is demonstrated for silicon test problems.
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    relaxation scheme
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    crystals
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    quasi-Newton method
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    silicon test problems
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