mirror of https://gitlab.com/QEF/q-e.git
49 lines
1.8 KiB
Plaintext
49 lines
1.8 KiB
Plaintext
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Program POST-PROC v.6.0 (svn rev. 13286) starts on 8Feb2017 at 9:46: 4
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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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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 -PW -PBX -PBC - ( 1 4 3 4 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.pbe-rrkjus.UPF: wavefunction(s) 2S renormalized
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file HUSPBE.RRKJ3: wavefunction(s) nX 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 1072 1072 271 37384 37384 4657
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Max 1073 1073 274 37389 37389 4658
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Sum 2145 2145 545 74773 74773 9315
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negative rho (up, down): 4.092E-02 0.000E+00
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Calling punch_plot, plot_num = 11
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Writing data to file water.vpot
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Message from routine chdens:
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namelist plot not found or invalid, exiting
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POST-PROC : 0.36s CPU 0.37s WALL
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This run was terminated on: 9:46: 5 8Feb2017
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=------------------------------------------------------------------------------=
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JOB DONE.
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=------------------------------------------------------------------------------=
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