mirror of https://gitlab.com/QEF/q-e.git
73 lines
2.7 KiB
Plaintext
73 lines
2.7 KiB
Plaintext
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Program PMW v.6.0 (svn rev. 13286) starts on 8Feb2017 at 9:26:53
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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 2 processors
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R & G space division: proc/nbgrp/npool/nimage = 2
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Reading data from directory:
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/home/pietro/espresso-svn/tempdir/feo_af.save
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Info: using nr1, nr2, nr3 values from input
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Info: using nr1, nr2, nr3 values from input
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IMPORTANT: XC functional enforced from input :
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Exchange-correlation = SLA PZ NOGX NOGC ( 1 1 0 0 0 0)
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Any further DFT definition will be discarded
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Please, verify this is what you really want
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file O.pz-rrkjus.UPF: wavefunction(s) 2S renormalized
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file Fe.pz-nd-rrkjus.UPF: wavefunction(s) 4S renormalized
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file Fe.pz-nd-rrkjus.UPF: wavefunction(s) 4S renormalized
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Parallelization info
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--------------------
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sticks: dense smooth PW G-vecs: dense smooth PW
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Min 530 269 81 8627 3055 539
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Max 531 270 82 8628 3056 542
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Sum 1061 539 163 17255 6111 1081
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Generating pointlists ...
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new r_m : 0.2063 (alat units) 1.6892 (a.u.) for type 1
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new r_m : 0.2063 (alat units) 1.6892 (a.u.) for type 2
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new r_m : 0.2063 (alat units) 1.6892 (a.u.) for type 3
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Check: negative/imaginary core charge= -0.000003 0.000000
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Calling projection to compute Wannier projectors ...
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number of k-points 8
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number of atomic wfcs with U 10
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total number of atomic wfcs 20
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number of Wannier functions 10
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number of bands for projecting 12
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total number bands 20
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.hub files will be overwritten
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Orthogonality check
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k-point 1 : ok
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k-point 2 : ok
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k-point 3 : ok
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k-point 4 : ok
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k-point 5 : ok
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k-point 6 : ok
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k-point 7 : ok
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k-point 8 : ok
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PMW : 2.18s CPU 2.19s WALL
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This run was terminated on: 9:26:55 8Feb2017
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=------------------------------------------------------------------------------=
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JOB DONE.
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=------------------------------------------------------------------------------=
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