mirror of https://gitlab.com/QEF/q-e.git
161 lines
5.2 KiB
Plaintext
161 lines
5.2 KiB
Plaintext
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Program Q2R v.6.1 (svn rev. 13615) starts on 25Jul2017 at 10:58:21
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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 grid info from file al.dyn0
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reading force constants from file al.dyn1
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Dielectric Tensor not found
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nqs= 1
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q= 0.00000000 0.00000000 0.00000000
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reading force constants from file al.dyn2
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nqs= 8
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q= -0.25000000 0.25000000 -0.25000000
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q= 0.25000000 -0.25000000 -0.25000000
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q= 0.25000000 -0.25000000 0.25000000
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q= 0.25000000 0.25000000 0.25000000
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q= -0.25000000 -0.25000000 -0.25000000
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q= -0.25000000 -0.25000000 0.25000000
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q= -0.25000000 0.25000000 0.25000000
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q= 0.25000000 0.25000000 -0.25000000
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reading force constants from file al.dyn3
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nqs= 4
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q= 0.50000000 -0.50000000 0.50000000
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q= 0.50000000 0.50000000 0.50000000
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q= -0.50000000 0.50000000 0.50000000
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q= 0.50000000 0.50000000 -0.50000000
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reading force constants from file al.dyn4
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nqs= 6
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q= 0.00000000 0.50000000 0.00000000
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q= 0.00000000 -0.50000000 0.00000000
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q= 0.50000000 0.00000000 0.00000000
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q= 0.00000000 0.00000000 0.50000000
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q= 0.00000000 0.00000000 -0.50000000
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q= -0.50000000 0.00000000 0.00000000
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reading force constants from file al.dyn5
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nqs= 24
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q= 0.75000000 -0.25000000 0.75000000
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q= 0.75000000 -0.25000000 -0.75000000
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q= -0.75000000 -0.25000000 -0.75000000
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q= -0.75000000 -0.25000000 0.75000000
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q= -0.75000000 0.25000000 -0.75000000
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q= -0.25000000 0.75000000 -0.75000000
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q= -0.75000000 0.75000000 -0.25000000
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q= 0.75000000 0.25000000 0.75000000
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q= -0.75000000 0.25000000 0.75000000
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q= 0.75000000 0.25000000 -0.75000000
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q= -0.75000000 0.75000000 0.25000000
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q= -0.25000000 0.75000000 0.75000000
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q= 0.25000000 0.75000000 -0.75000000
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q= -0.25000000 -0.75000000 -0.75000000
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q= 0.75000000 0.75000000 -0.25000000
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q= 0.75000000 -0.75000000 0.25000000
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q= -0.75000000 -0.75000000 -0.25000000
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q= 0.25000000 -0.75000000 0.75000000
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q= -0.75000000 -0.75000000 0.25000000
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q= 0.25000000 0.75000000 0.75000000
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q= -0.25000000 -0.75000000 0.75000000
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q= 0.75000000 0.75000000 0.25000000
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q= 0.25000000 -0.75000000 -0.75000000
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q= 0.75000000 -0.75000000 -0.25000000
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reading force constants from file al.dyn6
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nqs= 12
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q= 0.50000000 0.00000000 0.50000000
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q= -0.50000000 0.00000000 0.50000000
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q= -0.50000000 0.00000000 -0.50000000
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q= 0.50000000 0.00000000 -0.50000000
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q= 0.00000000 0.50000000 -0.50000000
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q= -0.50000000 0.50000000 0.00000000
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q= 0.00000000 0.50000000 0.50000000
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q= 0.00000000 -0.50000000 -0.50000000
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q= 0.50000000 0.50000000 0.00000000
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q= 0.50000000 -0.50000000 0.00000000
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q= -0.50000000 -0.50000000 0.00000000
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q= 0.00000000 -0.50000000 0.50000000
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reading force constants from file al.dyn7
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nqs= 3
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q= 0.00000000 -1.00000000 0.00000000
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q= -1.00000000 0.00000000 0.00000000
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q= 0.00000000 0.00000000 -1.00000000
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reading force constants from file al.dyn8
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nqs= 6
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q= -0.50000000 -1.00000000 0.00000000
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q= 0.00000000 1.00000000 0.50000000
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q= 0.00000000 -1.00000000 -0.50000000
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q= 0.50000000 1.00000000 0.00000000
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q= -1.00000000 -0.50000000 0.00000000
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q= 0.00000000 -0.50000000 -1.00000000
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q-space grid ok, #points = 64
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fft-check success (sum of imaginary terms < 10^-12)
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Preparing gamma for a2F
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Broadening = 0.005
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q-space grid ok, #points = 64
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fft-check success (sum of imaginary terms < 10^-12)
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Broadening = 0.010
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q-space grid ok, #points = 64
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fft-check success (sum of imaginary terms < 10^-12)
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Broadening = 0.015
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q-space grid ok, #points = 64
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fft-check success (sum of imaginary terms < 10^-12)
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Broadening = 0.020
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q-space grid ok, #points = 64
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fft-check success (sum of imaginary terms < 10^-12)
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Broadening = 0.025
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q-space grid ok, #points = 64
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fft-check success (sum of imaginary terms < 10^-12)
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Broadening = 0.030
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q-space grid ok, #points = 64
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fft-check success (sum of imaginary terms < 10^-12)
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Broadening = 0.035
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q-space grid ok, #points = 64
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fft-check success (sum of imaginary terms < 10^-12)
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Broadening = 0.040
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q-space grid ok, #points = 64
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fft-check success (sum of imaginary terms < 10^-12)
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Broadening = 0.045
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q-space grid ok, #points = 64
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fft-check success (sum of imaginary terms < 10^-12)
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Broadening = 0.050
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q-space grid ok, #points = 64
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fft-check success (sum of imaginary terms < 10^-12)
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Q2R : 0.03s CPU 0.02s WALL
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This run was terminated on: 10:58:21 25Jul2017
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=------------------------------------------------------------------------------=
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JOB DONE.
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=------------------------------------------------------------------------------=
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