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Program PWSCF v.6.0 (svn rev. 13286) starts on 7Feb2017 at 15: 8:49
This program is part of the open-source Quantum ESPRESSO suite
for quantum simulation of materials; please cite
"P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009);
URL http://www.quantum-espresso.org",
in publications or presentations arising from this work. More details at
http://www.quantum-espresso.org/quote
Parallel version (MPI), running on 2 processors
R & G space division: proc/nbgrp/npool/nimage = 2
Waiting for input...
Reading input from standard input
Message from routine read_cards :
DEPRECATED: no units specified in ATOMIC_POSITIONS card
Message from routine read_cards :
ATOMIC_POSITIONS: units set to alat
Current dimensions of program PWSCF are:
Max number of different atomic species (ntypx) = 10
Max number of k-points (npk) = 40000
Max angular momentum in pseudopotentials (lmaxx) = 3
Atomic positions and unit cell read from directory:
/home/pietro/espresso-svn/tempdir/si.save/
Subspace diagonalization in iterative solution of the eigenvalue problem:
a serial algorithm will be used
Parallelization info
--------------------
sticks: dense smooth PW G-vecs: dense smooth PW
Min 126 126 45 1365 1365 304
Max 127 127 46 1368 1368 305
Sum 253 253 91 2733 2733 609
bravais-lattice index = 2
lattice parameter (alat) = 10.2000 a.u.
unit-cell volume = 265.3020 (a.u.)^3
number of atoms/cell = 2
number of atomic types = 1
number of electrons = 8.00
number of Kohn-Sham states= 8
kinetic-energy cutoff = 18.0000 Ry
charge density cutoff = 72.0000 Ry
Exchange-correlation = SLA PZ NOGX NOGC ( 1 1 0 0 0 0)
celldm(1)= 10.200000 celldm(2)= 0.000000 celldm(3)= 0.000000
celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= 0.000000
crystal axes: (cart. coord. in units of alat)
a(1) = ( -0.500000 0.000000 0.500000 )
a(2) = ( 0.000000 0.500000 0.500000 )
a(3) = ( -0.500000 0.500000 0.000000 )
reciprocal axes: (cart. coord. in units 2 pi/alat)
b(1) = ( -1.000000 -1.000000 1.000000 )
b(2) = ( 1.000000 1.000000 1.000000 )
b(3) = ( -1.000000 1.000000 -1.000000 )
PseudoPot. # 1 for Si read from file:
/home/pietro/espresso-svn/pseudo/Si.pz-vbc.UPF
MD5 check sum: 6dfa03ddd5817404712e03e4d12deb78
Pseudo is Norm-conserving, Zval = 4.0
Generated by new atomic code, or converted to UPF format
Using radial grid of 431 points, 2 beta functions with:
l(1) = 0
l(2) = 1
atomic species valence mass pseudopotential
Si 4.00 28.08600 Si( 1.00)
48 Sym. Ops., with inversion, found (24 have fractional translation)
Cartesian axes
site n. atom positions (alat units)
1 Si tau( 1) = ( 0.0000000 0.0000000 0.0000000 )
2 Si tau( 2) = ( 0.2500000 0.2500000 0.2500000 )
number of k points= 72
cart. coord. in units 2pi/alat
k( 1) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0277778
k( 2) = ( 0.4750000 0.4750000 0.4750000), wk = 0.0277778
k( 3) = ( 0.4500000 0.4500000 0.4500000), wk = 0.0277778
k( 4) = ( 0.4250000 0.4250000 0.4250000), wk = 0.0277778
k( 5) = ( 0.4000000 0.4000000 0.4000000), wk = 0.0277778
k( 6) = ( 0.3750000 0.3750000 0.3750000), wk = 0.0277778
k( 7) = ( 0.3500000 0.3500000 0.3500000), wk = 0.0277778
k( 8) = ( 0.3250000 0.3250000 0.3250000), wk = 0.0277778
k( 9) = ( 0.3000000 0.3000000 0.3000000), wk = 0.0277778
k( 10) = ( 0.2750000 0.2750000 0.2750000), wk = 0.0277778
k( 11) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0277778
k( 12) = ( 0.2250000 0.2250000 0.2250000), wk = 0.0277778
k( 13) = ( 0.2000000 0.2000000 0.2000000), wk = 0.0277778
k( 14) = ( 0.1750000 0.1750000 0.1750000), wk = 0.0277778
k( 15) = ( 0.1500000 0.1500000 0.1500000), wk = 0.0277778
k( 16) = ( 0.1250000 0.1250000 0.1250000), wk = 0.0277778
k( 17) = ( 0.1000000 0.1000000 0.1000000), wk = 0.0277778
k( 18) = ( 0.0750000 0.0750000 0.0750000), wk = 0.0277778
k( 19) = ( 0.0500000 0.0500000 0.0500000), wk = 0.0277778
k( 20) = ( 0.0250000 0.0250000 0.0250000), wk = 0.0277778
k( 21) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0277778
k( 22) = ( 0.0000000 0.0500000 0.0000000), wk = 0.0277778
k( 23) = ( 0.0000000 0.1000000 0.0000000), wk = 0.0277778
k( 24) = ( 0.0000000 0.1500000 0.0000000), wk = 0.0277778
k( 25) = ( 0.0000000 0.2000000 0.0000000), wk = 0.0277778
k( 26) = ( 0.0000000 0.2500000 0.0000000), wk = 0.0277778
k( 27) = ( 0.0000000 0.3000000 0.0000000), wk = 0.0277778
k( 28) = ( 0.0000000 0.3500000 0.0000000), wk = 0.0277778
k( 29) = ( 0.0000000 0.4000000 0.0000000), wk = 0.0277778
k( 30) = ( 0.0000000 0.4500000 0.0000000), wk = 0.0277778
k( 31) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0277778
k( 32) = ( 0.0000000 0.5500000 0.0000000), wk = 0.0277778
k( 33) = ( 0.0000000 0.6000000 0.0000000), wk = 0.0277778
k( 34) = ( 0.0000000 0.6500000 0.0000000), wk = 0.0277778
k( 35) = ( 0.0000000 0.7000000 0.0000000), wk = 0.0277778
k( 36) = ( 0.0000000 0.7500000 0.0000000), wk = 0.0277778
k( 37) = ( 0.0000000 0.8000000 0.0000000), wk = 0.0277778
k( 38) = ( 0.0000000 0.8500000 0.0000000), wk = 0.0277778
k( 39) = ( 0.0000000 0.9000000 0.0000000), wk = 0.0277778
k( 40) = ( 0.0000000 0.9500000 0.0000000), wk = 0.0277778
k( 41) = ( 0.0000000 1.0000000 0.0000000), wk = 0.0277778
k( 42) = ( 1.0000000 1.0000000 0.0000000), wk = 0.0277778
k( 43) = ( 0.9666667 0.9666667 0.0000000), wk = 0.0277778
k( 44) = ( 0.9333333 0.9333333 0.0000000), wk = 0.0277778
k( 45) = ( 0.9000000 0.9000000 0.0000000), wk = 0.0277778
k( 46) = ( 0.8666667 0.8666667 0.0000000), wk = 0.0277778
k( 47) = ( 0.8333333 0.8333333 0.0000000), wk = 0.0277778
k( 48) = ( 0.8000000 0.8000000 0.0000000), wk = 0.0277778
k( 49) = ( 0.7666667 0.7666667 0.0000000), wk = 0.0277778
k( 50) = ( 0.7333333 0.7333333 0.0000000), wk = 0.0277778
k( 51) = ( 0.7000000 0.7000000 0.0000000), wk = 0.0277778
k( 52) = ( 0.6666667 0.6666667 0.0000000), wk = 0.0277778
k( 53) = ( 0.6333333 0.6333333 0.0000000), wk = 0.0277778
k( 54) = ( 0.6000000 0.6000000 0.0000000), wk = 0.0277778
k( 55) = ( 0.5666667 0.5666667 0.0000000), wk = 0.0277778
k( 56) = ( 0.5333333 0.5333333 0.0000000), wk = 0.0277778
k( 57) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0277778
k( 58) = ( 0.4666667 0.4666667 0.0000000), wk = 0.0277778
k( 59) = ( 0.4333333 0.4333333 0.0000000), wk = 0.0277778
k( 60) = ( 0.4000000 0.4000000 0.0000000), wk = 0.0277778
k( 61) = ( 0.3666667 0.3666667 0.0000000), wk = 0.0277778
k( 62) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0277778
k( 63) = ( 0.3000000 0.3000000 0.0000000), wk = 0.0277778
k( 64) = ( 0.2666667 0.2666667 0.0000000), wk = 0.0277778
k( 65) = ( 0.2333333 0.2333333 0.0000000), wk = 0.0277778
k( 66) = ( 0.2000000 0.2000000 0.0000000), wk = 0.0277778
k( 67) = ( 0.1666667 0.1666667 0.0000000), wk = 0.0277778
k( 68) = ( 0.1333333 0.1333333 0.0000000), wk = 0.0277778
k( 69) = ( 0.1000000 0.1000000 0.0000000), wk = 0.0277778
k( 70) = ( 0.0666667 0.0666667 0.0000000), wk = 0.0277778
k( 71) = ( 0.0333333 0.0333333 0.0000000), wk = 0.0277778
k( 72) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0277778
Dense grid: 2733 G-vectors FFT dimensions: ( 20, 20, 20)
Estimated max dynamical RAM per process > 0.59MB
Estimated total allocated dynamical RAM > 1.19MB
The potential is recalculated from file :
/home/pietro/espresso-svn/tempdir/si.save/charge-density.dat
Starting wfc are 8 randomized atomic wfcs
Band Structure Calculation
Davidson diagonalization with overlap
ethr = 1.25E-08, avg # of iterations = 12.3
total cpu time spent up to now is 0.7 secs
End of band structure calculation
k = 0.5000 0.5000 0.5000 ( 344 PWs) bands (ev):
-3.4180 -0.8220 5.0289 5.0289 7.8139 9.5968 9.5968 13.8378
k = 0.4750 0.4750 0.4750 ( 344 PWs) bands (ev):
-3.4553 -0.7690 5.0335 5.0335 7.8190 9.6022 9.6022 13.8463
k = 0.4500 0.4500 0.4500 ( 341 PWs) bands (ev):
-3.5588 -0.6181 5.0472 5.0472 7.8402 9.6181 9.6181 13.8713
k = 0.4250 0.4250 0.4250 ( 347 PWs) bands (ev):
-3.7122 -0.3900 5.0698 5.0698 7.8651 9.6433 9.6433 13.9097
k = 0.4000 0.4000 0.4000 ( 344 PWs) bands (ev):
-3.8910 -0.1018 5.1024 5.1024 7.9003 9.6788 9.6788 13.9593
k = 0.3750 0.3750 0.3750 ( 350 PWs) bands (ev):
-4.0849 0.2304 5.1432 5.1432 7.9451 9.7152 9.7152 14.0097
k = 0.3500 0.3500 0.3500 ( 344 PWs) bands (ev):
-4.2803 0.5965 5.1931 5.1931 8.0020 9.7523 9.7523 14.0416
k = 0.3250 0.3250 0.3250 ( 344 PWs) bands (ev):
-4.4734 0.9894 5.2517 5.2517 8.0659 9.7837 9.7837 14.0069
k = 0.3000 0.3000 0.3000 ( 344 PWs) bands (ev):
-4.6592 1.4043 5.3188 5.3188 8.1385 9.8032 9.8032 13.8447
k = 0.2750 0.2750 0.2750 ( 344 PWs) bands (ev):
-4.8351 1.8374 5.3940 5.3940 8.2192 9.8034 9.8034 13.5488
k = 0.2500 0.2500 0.2500 ( 344 PWs) bands (ev):
-4.9981 2.2880 5.4756 5.4756 8.3063 9.7763 9.7763 13.1732
k = 0.2250 0.2250 0.2250 ( 338 PWs) bands (ev):
-5.1490 2.7512 5.5651 5.5651 8.4037 9.7215 9.7215 12.7624
k = 0.2000 0.2000 0.2000 ( 332 PWs) bands (ev):
-5.2848 3.2219 5.6599 5.6599 8.5038 9.6359 9.6359 12.3332
k = 0.1750 0.1750 0.1750 ( 335 PWs) bands (ev):
-5.4073 3.6974 5.7583 5.7583 8.5990 9.5232 9.5232 11.8951
k = 0.1500 0.1500 0.1500 ( 335 PWs) bands (ev):
-5.5134 4.1747 5.8584 5.8584 8.6919 9.3934 9.3934 11.4558
k = 0.1250 0.1250 0.1250 ( 335 PWs) bands (ev):
-5.6039 4.6467 5.9568 5.9568 8.7782 9.2552 9.2552 11.0236
k = 0.1000 0.1000 0.1000 ( 335 PWs) bands (ev):
-5.6783 5.1038 6.0496 6.0496 8.8476 9.1205 9.1205 10.6116
k = 0.0750 0.0750 0.0750 ( 335 PWs) bands (ev):
-5.7363 5.5294 6.1316 6.1316 8.8881 9.0002 9.0002 10.2429
k = 0.0500 0.0500 0.0500 ( 332 PWs) bands (ev):
-5.7769 5.8961 6.1978 6.1978 8.8861 8.9051 8.9051 9.9534
k = 0.0250 0.0250 0.0250 ( 332 PWs) bands (ev):
-5.8019 6.1568 6.2402 6.2402 8.8434 8.8434 8.8474 9.7785
k = 0.0000 0.0000 0.0000 ( 331 PWs) bands (ev):
-5.8099 6.2549 6.2549 6.2549 8.8221 8.8221 8.8221 9.7232
k = 0.0000 0.0500 0.0000 ( 331 PWs) bands (ev):
-5.7988 6.1827 6.2063 6.2063 8.7933 8.8842 8.8842 9.7933
k = 0.0000 0.1000 0.0000 ( 335 PWs) bands (ev):
-5.7668 5.9810 6.0722 6.0722 8.7104 9.0571 9.0571 9.9838
k = 0.0000 0.1500 0.0000 ( 335 PWs) bands (ev):
-5.7113 5.6877 5.8821 5.8821 8.5833 9.3144 9.3144 10.2471
k = 0.0000 0.2000 0.0000 ( 335 PWs) bands (ev):
-5.6337 5.3339 5.6601 5.6601 8.4238 9.6301 9.6301 10.5192
k = 0.0000 0.2500 0.0000 ( 335 PWs) bands (ev):
-5.5341 4.9424 5.4242 5.4242 8.2440 9.9857 9.9857 10.7082
k = 0.0000 0.3000 0.0000 ( 335 PWs) bands (ev):
-5.4133 4.5265 5.1859 5.1859 8.0516 10.3698 10.3698 10.7062
k = 0.0000 0.3500 0.0000 ( 335 PWs) bands (ev):
-5.2701 4.0965 4.9518 4.9518 7.8597 10.4837 10.7739 10.7739
k = 0.0000 0.4000 0.0000 ( 347 PWs) bands (ev):
-5.1063 3.6529 4.7266 4.7266 7.6724 10.1364 11.1866 11.1866
k = 0.0000 0.4500 0.0000 ( 343 PWs) bands (ev):
-4.9196 3.2066 4.5142 4.5142 7.4953 9.7491 11.6195 11.6195
k = 0.0000 0.5000 0.0000 ( 343 PWs) bands (ev):
-4.7129 2.7564 4.3161 4.3161 7.3316 9.3547 12.0595 12.0595
k = 0.0000 0.5500 0.0000 ( 343 PWs) bands (ev):
-4.4855 2.3042 4.1340 4.1340 7.1844 8.9741 12.5072 12.5072
k = 0.0000 0.6000 0.0000 ( 339 PWs) bands (ev):
-4.2358 1.8517 3.9694 3.9694 7.0565 8.6170 12.9618 12.9618
k = 0.0000 0.6500 0.0000 ( 343 PWs) bands (ev):
-3.9686 1.3976 3.8218 3.8218 6.9492 8.2882 13.4173 13.4173
k = 0.0000 0.7000 0.0000 ( 335 PWs) bands (ev):
-3.6801 0.9502 3.6936 3.6936 6.8654 7.9924 13.8856 13.8856
k = 0.0000 0.7500 0.0000 ( 327 PWs) bands (ev):
-3.3751 0.5068 3.5848 3.5848 6.8056 7.7273 14.3578 14.3578
k = 0.0000 0.8000 0.0000 ( 335 PWs) bands (ev):
-3.0530 0.0683 3.4948 3.4948 6.7657 7.4943 14.8291 14.8291
k = 0.0000 0.8500 0.0000 ( 335 PWs) bands (ev):
-2.7127 -0.3626 3.4245 3.4245 6.7556 7.2948 15.3021 15.3021
k = 0.0000 0.9000 0.0000 ( 342 PWs) bands (ev):
-2.3563 -0.7867 3.3738 3.3738 6.7691 7.1285 15.7632 15.7632
k = 0.0000 0.9500 0.0000 ( 342 PWs) bands (ev):
-1.9843 -1.1982 3.3435 3.3435 6.8142 6.9931 16.1855 16.1855
k = 0.0000 1.0000 0.0000 ( 342 PWs) bands (ev):
-1.5978 -1.5978 3.3334 3.3334 6.8886 6.8886 16.4070 16.4070
k = 1.0000 1.0000 0.0000 ( 342 PWs) bands (ev):
-1.5978 -1.5978 3.3334 3.3334 6.8886 6.8886 16.4070 16.4070
k = 0.9667 0.9667 0.0000 ( 342 PWs) bands (ev):
-1.6014 -1.5873 3.2645 3.3414 6.8978 6.9895 16.3032 16.3477
k = 0.9333 0.9333 0.0000 ( 342 PWs) bands (ev):
-1.6128 -1.5555 3.0808 3.3654 6.9255 7.2700 16.0341 16.1833
k = 0.9000 0.9000 0.0000 ( 346 PWs) bands (ev):
-1.6351 -1.5030 2.8302 3.4052 6.9710 7.6840 15.6697 15.9429
k = 0.8667 0.8667 0.0000 ( 347 PWs) bands (ev):
-1.6721 -1.4290 2.5579 3.4606 7.0351 8.1893 15.2630 15.6550
k = 0.8333 0.8333 0.0000 ( 353 PWs) bands (ev):
-1.7296 -1.3361 2.2967 3.5306 7.1152 8.7604 14.8381 15.3386
k = 0.8000 0.8000 0.0000 ( 341 PWs) bands (ev):
-1.8118 -1.2182 2.0701 3.6165 7.2165 9.3814 14.4148 14.9686
k = 0.7667 0.7667 0.0000 ( 347 PWs) bands (ev):
-1.9294 -1.0815 1.8916 3.7157 7.3321 10.0335 13.9872 14.5197
k = 0.7333 0.7333 0.0000 ( 347 PWs) bands (ev):
-2.0796 -0.9239 1.7713 3.8288 7.4638 10.7102 13.5716 14.0928
k = 0.7000 0.7000 0.0000 ( 351 PWs) bands (ev):
-2.2636 -0.7459 1.7118 3.9544 7.6098 11.3920 13.1675 13.6967
k = 0.6667 0.6667 0.0000 ( 347 PWs) bands (ev):
-2.4758 -0.5458 1.7122 4.0921 7.7723 12.0454 12.7790 13.3742
k = 0.6333 0.6333 0.0000 ( 349 PWs) bands (ev):
-2.7100 -0.3268 1.7661 4.2395 7.9436 12.4039 12.4376 13.3383
k = 0.6000 0.6000 0.0000 ( 343 PWs) bands (ev):
-2.9584 -0.0844 1.8684 4.3957 8.1262 12.0466 12.3047 13.1205
k = 0.5667 0.5667 0.0000 ( 339 PWs) bands (ev):
-3.2139 0.1752 2.0116 4.5589 8.3142 11.7061 12.0088 12.8586
k = 0.5333 0.5333 0.0000 ( 343 PWs) bands (ev):
-3.4738 0.4544 2.1898 4.7264 8.5048 11.3813 11.6960 12.6190
k = 0.5000 0.5000 0.0000 ( 339 PWs) bands (ev):
-3.7277 0.7540 2.3987 4.8964 8.6931 11.0753 11.3920 12.4083
k = 0.4667 0.4667 0.0000 ( 339 PWs) bands (ev):
-3.9750 1.0722 2.6343 5.0658 8.8717 10.7877 11.1005 12.2312
k = 0.4333 0.4333 0.0000 ( 337 PWs) bands (ev):
-4.2130 1.4093 2.8929 5.2319 9.0328 10.5194 10.8265 12.0932
k = 0.4000 0.4000 0.0000 ( 333 PWs) bands (ev):
-4.4382 1.7660 3.1712 5.3917 9.1678 10.2713 10.5715 11.9975
k = 0.3667 0.3667 0.0000 ( 339 PWs) bands (ev):
-4.6494 2.1384 3.4652 5.5392 9.2668 10.0396 10.3287 11.9419
k = 0.3333 0.3333 0.0000 ( 341 PWs) bands (ev):
-4.8458 2.5272 3.7733 5.6771 9.3295 9.8289 10.1028 11.9226
k = 0.3000 0.3000 0.0000 ( 333 PWs) bands (ev):
-5.0244 2.9330 4.0923 5.8016 9.3562 9.6416 9.8965 11.9166
k = 0.2667 0.2667 0.0000 ( 337 PWs) bands (ev):
-5.1876 3.3516 4.4157 5.9090 9.3501 9.4700 9.7027 11.8780
k = 0.2333 0.2333 0.0000 ( 335 PWs) bands (ev):
-5.3321 3.7838 4.7399 6.0003 9.3185 9.3240 9.5272 11.7531
k = 0.2000 0.2000 0.0000 ( 335 PWs) bands (ev):
-5.4577 4.2238 5.0583 6.0750 9.1873 9.2787 9.3685 11.4991
k = 0.1667 0.1667 0.0000 ( 333 PWs) bands (ev):
-5.5648 4.6661 5.3636 6.1349 9.0758 9.2242 9.2250 11.1353
k = 0.1333 0.1333 0.0000 ( 333 PWs) bands (ev):
-5.6530 5.1026 5.6453 6.1809 8.9845 9.0957 9.1603 10.7195
k = 0.1000 0.1000 0.0000 ( 333 PWs) bands (ev):
-5.7218 5.5180 5.8909 6.2146 8.9135 8.9856 9.0810 10.3168
k = 0.0667 0.0667 0.0000 ( 333 PWs) bands (ev):
-5.7711 5.8844 6.0848 6.2374 8.8627 8.8987 8.9803 9.9898
k = 0.0333 0.0333 0.0000 ( 331 PWs) bands (ev):
-5.8000 6.1533 6.2111 6.2506 8.8322 8.8421 8.8732 9.7882
k = 0.0000 0.0000 0.0000 ( 331 PWs) bands (ev):
-5.8099 6.2549 6.2549 6.2549 8.8221 8.8221 8.8221 9.7232
Writing output data file si.save
init_run : 0.02s CPU 0.02s WALL ( 1 calls)
electrons : 0.64s CPU 0.67s WALL ( 1 calls)
Called by init_run:
wfcinit : 0.00s CPU 0.00s WALL ( 1 calls)
potinit : 0.00s CPU 0.00s WALL ( 1 calls)
Called by electrons:
c_bands : 0.64s CPU 0.67s WALL ( 1 calls)
v_of_rho : 0.00s CPU 0.00s WALL ( 1 calls)
Called by c_bands:
init_us_2 : 0.00s CPU 0.00s WALL ( 72 calls)
cegterg : 0.57s CPU 0.61s WALL ( 73 calls)
Called by sum_band:
Called by *egterg:
h_psi : 0.28s CPU 0.33s WALL ( 1032 calls)
g_psi : 0.00s CPU 0.00s WALL ( 887 calls)
cdiaghg : 0.14s CPU 0.14s WALL ( 959 calls)
Called by h_psi:
h_psi:pot : 0.28s CPU 0.33s WALL ( 1032 calls)
h_psi:calbec : 0.01s CPU 0.02s WALL ( 1032 calls)
vloc_psi : 0.25s CPU 0.29s WALL ( 1032 calls)
add_vuspsi : 0.02s CPU 0.01s WALL ( 1032 calls)
General routines
calbec : 0.01s CPU 0.02s WALL ( 1032 calls)
fft : 0.00s CPU 0.00s WALL ( 3 calls)
fftw : 0.23s CPU 0.26s WALL ( 11520 calls)
davcio : 0.00s CPU 0.00s WALL ( 72 calls)
Parallel routines
fft_scatter : 0.08s CPU 0.10s WALL ( 11523 calls)
PWSCF : 0.80s CPU 0.84s WALL
This run was terminated on: 15: 8:50 7Feb2017
=------------------------------------------------------------------------------=
JOB DONE.
=------------------------------------------------------------------------------=
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