mirror of https://gitlab.com/QEF/q-e.git
51 lines
1.8 KiB
Plaintext
51 lines
1.8 KiB
Plaintext
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Program DYNMAT v.6.0 (svn rev. 13188M) starts on 7Dec2016 at 11: 0: 7
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This program is part of the open-source Quantum ESPRESSO suite
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for quantum simulation of materials; please cite
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"P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009);
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URL http://www.quantum-espresso.org",
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in publications or presentations arising from this work. More details at
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http://www.quantum-espresso.org/quote
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Parallel version (MPI), running on 1 processors
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Reading Dynamical Matrix from file ch4.dyn.xml
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Acoustic Sum Rule: || Z*(ASR) - Z*(orig)|| = 7.773120E-02
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Acoustic Sum Rule: ||dyn(ASR) - dyn(orig)||= 5.962713E-04
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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 0.976636 for Clausius-Mossotti correction
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2.856345 0.000000 0.000000
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0.000000 2.856345 0.000000
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0.000000 0.000000 2.856345
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IR activities 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 1218.61 36.5329 0.3504
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8 1218.61 36.5329 0.3504
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9 1218.61 36.5329 0.3504
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10 1450.16 43.4747 0.0000
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11 1450.16 43.4747 0.0000
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12 2928.26 87.7872 0.0000
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13 3054.99 91.5862 0.3192
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14 3054.99 91.5862 0.3192
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15 3054.99 91.5862 0.3192
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DYNMAT : 0.01s CPU 0.02s WALL
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This run was terminated on: 11: 0: 7 7Dec2016
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=------------------------------------------------------------------------------=
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JOB DONE.
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=------------------------------------------------------------------------------=
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