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33646630530
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note
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These TA frequencies were scaled by the ratio of Raman (at 2 K) to neutron-scattering (at 300 K) frequencies (Ref. 11).
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30
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0001638124
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33646628502
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note
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LO=1.8, 1.7, and 1.8 for 10, 120, and 240 K, respectively. These values agree rather well with those reported in Ref. 28.
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36
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33646618322
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note
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3 = 0, which is by no means trivial.
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37
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33646609008
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The ABINIT code is a common project of the Université Catholique de Louvain, Corning Incorporation, and other contributors (URL http://www.abinit.org).
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43
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33646612559
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note
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0).
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44
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0001672702
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0031995989
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Similar pseudopotentials have been utilized to investigate phase transitions and the electronic structure in silver halides. See G.S. Nunes, P.B. Allen, and J.L. Martins, Phys. Rev. B 57, 5098 (1998); Solid State Commun. 105, 377 (1998).
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33646600221
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note
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Note that the differences between experimental frequencies and those calculated in Ref. 36 is only 3%: The LMTO treatment is more adequate for the 3d electrons than that based on planewave pseudopotentials.
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