mirror of https://github.com/QMCPACK/qmcpack.git
38 lines
1.5 KiB
Plaintext
38 lines
1.5 KiB
Plaintext
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Program pw2qmcpack v.5.0 starts on 6Jun2016 at 20: 7:58
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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.php
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Parallel version (MPI), running on 1 processors
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Info: using nr1, nr2, nr3 values from input
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Info: using nr1s, nr2s, nr3s values from input
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exclusive time read pseudo (s) 0.000000000000000000E+00
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IMPORTANT: XC functional enforced from input :
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Exchange-correlation = LDA ( 1 1 0 0 0)
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EXX-fraction = 0.00
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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.BFD.upf: wavefunction(s) 0s 0p renormalized
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G-vector sticks info
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--------------------
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sticks: dense smooth PW G-vecs: dense smooth PW
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Sum 34109 34109 8529 4738093 4738093 591889
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exclusive time read charge density (s) 5.48000000000000043
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exclusive time fft charge density (s) 9.02999999999999758
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exclusive time read wave function (s) 6.13000000000000256
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inclusive time in read_file_lite (s) 38.9199999999999946
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esh5 create ./O.q1.pwscf.h5
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inclusive time in big loop (s) 5.21000000000000085
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inclusive time in compute_qmcpack (s) 8.66000000000000369
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