mirror of https://gitlab.com/QEF/q-e.git
33 lines
1.1 KiB
Plaintext
33 lines
1.1 KiB
Plaintext
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Reading Dynamical Matrix from file sih4.dyn
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...Force constants read
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...epsilon and Z* read
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Acoustic Sum Rule: || Z*(ASR) - Z*(orig)|| = 0.386321E+01
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Acoustic Sum Rule: ||dyn(ASR) - dyn(orig)||= 0.345645E-01
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A direction for q was not specified:TO-LO splitting will be absent
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Polarizability (A^3 units)
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multiply by 0.436605 for Clausius-Mossotti correction
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19.720762 0.000000 0.000000
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0.000000 19.720762 0.000000
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0.000000 0.000000 19.720740
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IR cross sections are in (D/A)^2/amu units
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# mode [cm-1] [THz] IR
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1 0.00 0.0000 0.0000
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2 0.00 0.0000 0.0000
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3 0.00 0.0000 0.0000
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4 0.00 0.0000 0.0000
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5 0.00 0.0000 0.0000
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6 0.00 0.0000 0.0000
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7 740.97 22.2136 0.0000
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8 740.97 22.2136 0.0000
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9 903.97 27.1003 13.3082
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10 903.97 27.1003 13.3082
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11 903.97 27.1003 13.3082
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12 2519.39 75.5288 49.9869
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13 2519.39 75.5288 49.9869
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14 2519.39 75.5288 49.9869
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15 2751.03 82.4733 0.0000
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