Program PWSCF v.5.1.1 starts on 20Nov2015 at 9:17:48 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 48 processors R & G space division: proc/nbgrp/npool/nimage = 48 Waiting for input... Reading input from standard input 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 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 63 63 17 2657 2657 377 Max 64 64 18 2662 2662 382 Sum 3037 3037 835 127587 127587 18195 bravais-lattice index = 14 lattice parameter (alat) = 10.3519 a.u. unit-cell volume = 906.6961 (a.u.)^3 number of atoms/cell = 10 number of atomic types = 3 number of electrons = 56.00 number of Kohn-Sham states= 68 kinetic-energy cutoff = 103.0000 Ry charge density cutoff = 411.0000 Ry convergence threshold = 1.0E-08 mixing beta = 0.3000 number of iterations used = 8 plain mixing Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 10.351919 celldm(2)= 1.000000 celldm(3)= 0.943775 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= -0.500000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.500000 0.866025 0.000000 ) a(3) = ( 0.000000 0.000000 0.943775 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 0.577350 -0.000000 ) b(2) = ( 0.000000 1.154701 -0.000000 ) b(3) = ( 0.000000 0.000000 1.059574 ) PseudoPot. # 1 for O read from file: /home/autes/Pseudo/O.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e551570ea340e0688630c94d366e26e3 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1095 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Li read from file: /home/autes/Pseudo/Li.rel-pbe-s-rrkjus_psl.1.0.0.UPF MD5 check sum: 9da6379fed0e9079eb53e17c51ce5ca0 Pseudo is Ultrasoft, Zval = 3.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1017 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for I read from file: /home/autes/Pseudo/I_MT_PBE_v_3_oleg_edit.UPF MD5 check sum: 1ab4f4b5fa7db8de97d041ab18f0a614 Pseudo is Norm-conserving, Zval = 7.0 Generated using "atomic" code by A. Dal Corso (Quantum ESPRESSO distribution) Using radial grid of 1247 points, 4 beta functions with: l(1) = 1 l(2) = 1 l(3) = 2 l(4) = 2 atomic species valence mass pseudopotential O 6.00 15.99940 O( 1.00) Li 3.00 6.94100 Li( 1.00) I 7.00 126.90450 I( 1.00) 6 Sym. Ops. (no inversion) found ( 3 have fractional translation) s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( -1 0 0 ) f =( 0.0000000 ) ( 0 -1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( -0.5000000 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) f =( -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( -0.4718876 ) isym = 3 60 deg rotation - cryst. axis [0,0,1] cryst. s( 3) = ( 1 1 0 ) f =( 0.0000000 ) ( -1 0 0 ) ( 0.0000000 ) ( 0 0 1 ) ( -0.5000000 ) cart. s( 3) = ( 0.5000000 -0.8660254 0.0000000 ) f =( -0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( -0.4718876 ) isym = 4 60 deg rotation - cryst. axis [0,0,-1] cryst. s( 4) = ( 0 -1 0 ) f =( 0.0000000 ) ( 1 1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( -0.5000000 ) cart. s( 4) = ( 0.5000000 0.8660254 -0.0000000 ) f =( -0.0000000 ) ( -0.8660254 0.5000000 0.0000000 ) ( -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( -0.4718876 ) isym = 5 120 deg rotation - cryst. axis [0,0,1] cryst. s( 5) = ( 0 1 0 ) ( -1 -1 0 ) ( 0 0 1 ) cart. s( 5) = ( -0.5000000 -0.8660254 0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 6 120 deg rotation - cryst. axis [0,0,-1] cryst. s( 6) = ( -1 -1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s( 6) = ( -0.5000000 0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) double point group C_6 (6) there are 12 classes and 6 irreducible representations the character table: E -E C6 -C6 C3 -C3 C2 -C2 C3^2 -C3^2 C6^5 -C6^5 G_7 1.00 -1.00 0.87 -0.87 0.50 -0.50 0.00 0.00 0.50 -0.50 0.87 -0.87 G_8 1.00 -1.00 0.87 -0.87 0.50 -0.50 0.00 0.00 0.50 -0.50 0.87 -0.87 G_11 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 -1.00 1.00 0.00 0.00 G_12 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 -1.00 1.00 0.00 0.00 G_9 1.00 -1.00 -0.87 0.87 0.50 -0.50 0.00 0.00 0.50 -0.50 -0.87 0.87 G_10 1.00 -1.00 -0.87 0.87 0.50 -0.50 0.00 0.00 0.50 -0.50 -0.87 0.87 imaginary part E -E C6 -C6 C3 -C3 C2 -C2 C3^2 -C3^2 C6^5 -C6^5 G_7 0.00 0.00 0.50 -0.50 0.87 -0.87 1.00 -1.00 -0.87 0.87 -0.50 0.50 G_8 0.00 0.00 -0.50 0.50 -0.87 0.87 -1.00 1.00 0.87 -0.87 0.50 -0.50 G_11 0.00 0.00 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 -1.00 1.00 G_12 0.00 0.00 -1.00 1.00 0.00 0.00 1.00 -1.00 0.00 0.00 1.00 -1.00 G_9 0.00 0.00 -0.50 0.50 0.87 -0.87 -1.00 1.00 -0.87 0.87 0.50 -0.50 G_10 0.00 0.00 0.50 -0.50 -0.87 0.87 1.00 -1.00 0.87 -0.87 -0.50 0.50 the symmetry operations in each class: E 1 C2 2 C6 3 C6^5 4 C3 5 C3^2 6 -E -1 -C2 -2 -C6 -3 -C6^5 -4 -C3 -5 -C3^2 -6 Cartesian axes number of k points= 15 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0080000 k( 2) = ( 0.0000000 0.0000000 0.2119149), wk = 0.0160000 k( 3) = ( 0.0000000 0.0000000 0.4238298), wk = 0.0160000 k( 4) = ( 0.0000000 0.2309401 -0.0000000), wk = 0.0480000 k( 5) = ( 0.0000000 0.2309401 0.2119149), wk = 0.0960000 k( 6) = ( 0.0000000 0.2309401 0.4238298), wk = 0.0960000 k( 7) = ( 0.0000000 0.4618802 -0.0000000), wk = 0.0480000 k( 8) = ( 0.0000000 0.4618802 0.2119149), wk = 0.0960000 k( 9) = ( 0.0000000 0.4618802 0.4238298), wk = 0.0960000 k( 10) = ( 0.2000000 0.3464102 -0.0000000), wk = 0.0480000 k( 11) = ( 0.2000000 0.3464102 0.2119149), wk = 0.0960000 k( 12) = ( 0.2000000 0.3464102 0.4238298), wk = 0.0960000 k( 13) = ( 0.2000000 0.5773503 -0.0000000), wk = 0.0480000 k( 14) = ( 0.2000000 0.5773503 0.2119149), wk = 0.0960000 k( 15) = ( 0.2000000 0.5773503 0.4238298), wk = 0.0960000 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0080000 k( 2) = ( 0.0000000 0.0000000 0.2000000), wk = 0.0160000 k( 3) = ( 0.0000000 0.0000000 0.4000000), wk = 0.0160000 k( 4) = ( 0.0000000 0.2000000 -0.0000000), wk = 0.0480000 k( 5) = ( 0.0000000 0.2000000 0.2000000), wk = 0.0960000 k( 6) = ( 0.0000000 0.2000000 0.4000000), wk = 0.0960000 k( 7) = ( 0.0000000 0.4000000 -0.0000000), wk = 0.0480000 k( 8) = ( 0.0000000 0.4000000 0.2000000), wk = 0.0960000 k( 9) = ( 0.0000000 0.4000000 0.4000000), wk = 0.0960000 k( 10) = ( 0.2000000 0.2000000 -0.0000000), wk = 0.0480000 k( 11) = ( 0.2000000 0.2000000 0.2000000), wk = 0.0960000 k( 12) = ( 0.2000000 0.2000000 0.4000000), wk = 0.0960000 k( 13) = ( 0.2000000 0.4000000 0.0000000), wk = 0.0480000 k( 14) = ( 0.2000000 0.4000000 0.2000000), wk = 0.0960000 k( 15) = ( 0.2000000 0.4000000 0.4000000), wk = 0.0960000 Dense grid: 127587 G-vectors FFT dimensions: ( 72, 72, 64) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.70 Mb ( 672, 68) NL pseudopotentials 0.74 Mb ( 336, 144) Each V/rho on FFT grid 0.16 Mb ( 10368) Each G-vector array 0.02 Mb ( 2659) G-vector shells 0.01 Mb ( 1195) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 2.79 Mb ( 672, 272) Each subspace H/S matrix 1.13 Mb ( 272, 272) Each matrix 0.30 Mb ( 144, 2, 68) Arrays for rho mixing 1.27 Mb ( 10368, 8) Check: negative/imaginary core charge= -0.000002 0.000000 Initial potential from superposition of free atoms starting charge 55.99062, renormalised to 56.00000 Starting wfc are 84 randomized atomic wfcs total cpu time spent up to now is 42.1 secs per-process dynamical memory: 41.8 Mb Self-consistent Calculation iteration # 1 ecut= 103.00 Ry beta=0.30 Davidson diagonalization with overlap ethr = 1.00E-02, avg # of iterations = 3.0 total cpu time spent up to now is 54.8 secs total energy = -269.11915759 Ry Harris-Foulkes estimate = -270.97275676 Ry estimated scf accuracy < 4.23870639 Ry iteration # 2 ecut= 103.00 Ry beta=0.30 Davidson diagonalization with overlap ethr = 7.57E-03, avg # of iterations = 2.5 total cpu time spent up to now is 64.7 secs total energy = -269.59523030 Ry Harris-Foulkes estimate = -269.69759057 Ry estimated scf accuracy < 0.23733251 Ry iteration # 3 ecut= 103.00 Ry beta=0.30 Davidson diagonalization with overlap ethr = 4.24E-04, avg # of iterations = 3.9 total cpu time spent up to now is 81.7 secs total energy = -269.84965523 Ry Harris-Foulkes estimate = -269.94887382 Ry estimated scf accuracy < 0.25130681 Ry iteration # 4 ecut= 103.00 Ry beta=0.30 Davidson diagonalization with overlap ethr = 4.24E-04, avg # of iterations = 1.1 total cpu time spent up to now is 89.6 secs total energy = -269.86141408 Ry Harris-Foulkes estimate = -269.87597820 Ry estimated scf accuracy < 0.04476839 Ry iteration # 5 ecut= 103.00 Ry beta=0.30 Davidson diagonalization with overlap ethr = 7.99E-05, avg # of iterations = 3.0 total cpu time spent up to now is 103.5 secs total energy = -269.89364717 Ry Harris-Foulkes estimate = -269.89999443 Ry estimated scf accuracy < 0.03391011 Ry iteration # 6 ecut= 103.00 Ry beta=0.30 Davidson diagonalization with overlap ethr = 6.06E-05, avg # of iterations = 1.0 total cpu time spent up to now is 111.4 secs total energy = -269.88164937 Ry Harris-Foulkes estimate = -269.89393224 Ry estimated scf accuracy < 0.02066913 Ry iteration # 7 ecut= 103.00 Ry beta=0.30 Davidson diagonalization with overlap ethr = 3.69E-05, avg # of iterations = 3.0 total cpu time spent up to now is 125.3 secs total energy = -269.88888456 Ry Harris-Foulkes estimate = -269.89165527 Ry estimated scf accuracy < 0.00690281 Ry iteration # 8 ecut= 103.00 Ry beta=0.30 Davidson diagonalization with overlap ethr = 1.23E-05, avg # of iterations = 1.0 total cpu time spent up to now is 133.7 secs total energy = -269.88828625 Ry Harris-Foulkes estimate = -269.88928796 Ry estimated scf accuracy < 0.00147299 Ry iteration # 9 ecut= 103.00 Ry beta=0.30 Davidson diagonalization with overlap ethr = 2.63E-06, avg # of iterations = 3.1 total cpu time spent up to now is 149.2 secs total energy = -269.88954129 Ry Harris-Foulkes estimate = -269.89032406 Ry estimated scf accuracy < 0.00245170 Ry iteration # 10 ecut= 103.00 Ry beta=0.30 Davidson diagonalization with overlap ethr = 2.63E-06, avg # of iterations = 1.0 total cpu time spent up to now is 157.1 secs total energy = -269.88920441 Ry Harris-Foulkes estimate = -269.88961824 Ry estimated scf accuracy < 0.00082615 Ry iteration # 11 ecut= 103.00 Ry beta=0.30 Davidson diagonalization with overlap ethr = 1.48E-06, avg # of iterations = 3.0 total cpu time spent up to now is 169.9 secs total energy = -269.88960772 Ry Harris-Foulkes estimate = -269.88967676 Ry estimated scf accuracy < 0.00019931 Ry iteration # 12 ecut= 103.00 Ry beta=0.30 Davidson diagonalization with overlap ethr = 3.56E-07, avg # of iterations = 1.0 total cpu time spent up to now is 177.8 secs total energy = -269.88960467 Ry Harris-Foulkes estimate = -269.88961419 Ry estimated scf accuracy < 0.00006590 Ry iteration # 13 ecut= 103.00 Ry beta=0.30 Davidson diagonalization with overlap ethr = 1.18E-07, avg # of iterations = 3.0 total cpu time spent up to now is 190.1 secs total energy = -269.88961657 Ry Harris-Foulkes estimate = -269.88961944 Ry estimated scf accuracy < 0.00000800 Ry iteration # 14 ecut= 103.00 Ry beta=0.30 Davidson diagonalization with overlap ethr = 1.43E-08, avg # of iterations = 1.0 total cpu time spent up to now is 198.0 secs total energy = -269.88961591 Ry Harris-Foulkes estimate = -269.88961696 Ry estimated scf accuracy < 0.00000204 Ry iteration # 15 ecut= 103.00 Ry beta=0.30 Davidson diagonalization with overlap ethr = 3.64E-09, avg # of iterations = 3.0 total cpu time spent up to now is 210.7 secs total energy = -269.88961722 Ry Harris-Foulkes estimate = -269.88961759 Ry estimated scf accuracy < 0.00000099 Ry iteration # 16 ecut= 103.00 Ry beta=0.30 Davidson diagonalization with overlap ethr = 1.77E-09, avg # of iterations = 1.0 total cpu time spent up to now is 218.6 secs total energy = -269.88961714 Ry Harris-Foulkes estimate = -269.88961728 Ry estimated scf accuracy < 0.00000022 Ry iteration # 17 ecut= 103.00 Ry beta=0.30 Davidson diagonalization with overlap ethr = 3.90E-10, avg # of iterations = 3.0 total cpu time spent up to now is 233.6 secs total energy = -269.88961728 Ry Harris-Foulkes estimate = -269.88961742 Ry estimated scf accuracy < 0.00000032 Ry iteration # 18 ecut= 103.00 Ry beta=0.30 Davidson diagonalization with overlap ethr = 3.90E-10, avg # of iterations = 1.0 total cpu time spent up to now is 242.8 secs total energy = -269.88961729 Ry Harris-Foulkes estimate = -269.88961730 Ry estimated scf accuracy < 0.00000005 Ry iteration # 19 ecut= 103.00 Ry beta=0.30 Davidson diagonalization with overlap ethr = 8.40E-11, avg # of iterations = 3.0 total cpu time spent up to now is 255.5 secs total energy = -269.88961732 Ry Harris-Foulkes estimate = -269.88961733 Ry estimated scf accuracy < 0.00000001 Ry iteration # 20 ecut= 103.00 Ry beta=0.30 Davidson diagonalization with overlap ethr = 2.15E-11, avg # of iterations = 2.1 total cpu time spent up to now is 264.2 secs End of self-consistent calculation k = 0.0000 0.0000 0.0000 ( 15931 PWs) bands (ev): -38.6044 -38.6044 -38.5653 -38.5653 -16.0797 -16.0797 -15.5293 -15.5293 -13.0879 -13.0879 -13.0217 -13.0217 -13.0200 -13.0200 -12.9463 -12.9463 -7.0531 -7.0531 -5.8937 -5.8937 -1.2935 -1.2935 -1.1621 -1.1621 -0.9054 -0.9054 -0.6890 -0.6890 -0.6311 -0.6311 -0.6106 -0.6106 1.9049 1.9049 1.9169 1.9169 2.2575 2.2575 2.2680 2.2680 2.5633 2.5633 2.9262 2.9262 3.1733 3.1733 3.1924 3.1924 3.5126 3.5126 3.5283 3.5283 3.8383 3.8383 3.9268 3.9268 8.3609 8.3609 8.7635 8.7635 8.8120 8.8120 9.4785 9.4785 9.8171 9.8171 10.2966 10.2966 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.0000 0.2119 ( 16009 PWs) bands (ev): -38.6007 -38.6007 -38.5691 -38.5691 -16.0304 -16.0304 -15.5855 -15.5855 -13.1145 -13.0604 -13.0456 -13.0454 -12.9897 -12.9853 -12.9809 -12.9190 -6.9487 -6.9486 -6.0107 -6.0104 -1.6558 -1.5025 -1.3016 -1.0828 -1.0194 -1.0175 -0.7549 -0.7464 -0.5902 -0.5139 -0.4417 -0.2953 1.8116 1.8191 2.0791 2.0937 2.2025 2.2074 2.4712 2.4818 2.6312 2.6326 3.0240 3.0272 3.1546 3.1768 3.2780 3.2930 3.5283 3.5400 3.5449 3.5529 3.7898 3.7902 3.9272 3.9318 7.8164 8.2543 8.6182 8.8521 8.8851 9.0959 9.1827 9.3304 9.7220 10.0204 10.0478 10.0649 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.0000 0.4238 ( 16058 PWs) bands (ev): -38.5909 -38.5909 -38.5789 -38.5789 -15.8985 -15.8984 -15.7287 -15.7287 -13.1171 -13.0966 -13.0448 -13.0220 -13.0045 -12.9829 -12.9396 -12.9157 -6.6693 -6.6692 -6.3110 -6.3108 -1.8555 -1.7930 -1.5023 -1.4202 -0.9997 -0.9770 -0.8267 -0.8066 -0.4527 -0.3847 -0.2917 -0.2101 1.9295 1.9413 2.0162 2.0371 2.4682 2.4711 2.5589 2.5672 2.8296 2.8314 3.0467 3.0472 3.2693 3.2908 3.4372 3.4487 3.4644 3.4816 3.5494 3.5602 3.7928 3.7984 3.8924 3.8996 7.6071 7.9861 8.0488 8.4449 9.1020 9.1425 9.2601 9.5977 9.6649 9.6920 9.6991 9.9591 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.2309-0.0000 ( 15995 PWs) bands (ev): -38.6044 -38.6044 -38.5653 -38.5653 -16.0221 -16.0186 -15.5545 -15.5516 -13.1730 -13.1697 -13.1253 -13.1242 -12.9630 -12.9615 -12.9226 -12.9211 -6.8992 -6.8892 -5.9084 -5.9046 -1.4716 -1.3713 -1.2499 -1.1653 -1.0043 -0.8812 -0.7943 -0.7649 -0.5247 -0.4697 -0.3232 -0.2908 1.7929 1.7963 1.8239 1.8273 2.3434 2.3485 2.4804 2.5028 2.6952 2.7211 2.7640 2.7676 2.9512 2.9591 3.1263 3.1298 3.1941 3.2015 3.5046 3.5066 3.9151 3.9304 3.9718 3.9875 8.1830 8.2995 8.5662 8.6384 9.0851 9.2114 9.4679 9.6264 9.7379 9.7495 10.3818 10.5306 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.2309 0.2119 ( 16005 PWs) bands (ev): -38.6007 -38.6007 -38.5691 -38.5691 -15.9786 -15.9755 -15.5999 -15.5979 -13.1738 -13.1601 -13.1025 -13.0899 -12.9998 -12.9872 -12.9305 -12.9186 -6.8118 -6.8034 -6.0124 -6.0081 -1.6748 -1.5491 -1.2624 -1.1359 -1.0184 -0.9391 -0.7320 -0.6865 -0.5261 -0.4513 -0.3270 -0.2541 1.7698 1.7801 1.9903 2.0003 2.2587 2.2693 2.4860 2.4959 2.7387 2.7561 2.8602 2.8669 2.9514 2.9614 3.1875 3.1892 3.3158 3.3204 3.5225 3.5246 3.9027 3.9111 3.9371 3.9436 7.8028 8.1156 8.7656 8.8754 9.0847 9.2339 9.2936 9.4626 9.7217 9.9158 10.1961 10.2976 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.2309 0.4238 ( 16009 PWs) bands (ev): -38.5909 -38.5909 -38.5789 -38.5789 -15.8632 -15.8614 -15.7178 -15.7177 -13.1491 -13.1361 -13.0741 -13.0537 -13.0271 -13.0248 -12.9542 -12.9460 -6.5773 -6.5719 -6.2734 -6.2686 -1.7892 -1.7207 -1.4240 -1.3462 -0.9614 -0.9367 -0.7200 -0.7044 -0.4508 -0.4152 -0.2595 -0.2234 1.9028 1.9061 2.0721 2.0765 2.2416 2.2500 2.4130 2.4214 2.8477 2.8540 2.9390 2.9513 3.1080 3.1211 3.3429 3.3474 3.4017 3.4101 3.4932 3.4985 3.8271 3.8331 3.8833 3.8925 7.7652 8.0285 8.3233 8.5981 9.1411 9.2620 9.5508 9.6640 9.7333 9.8413 9.9288 9.9584 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.4619-0.0000 ( 16009 PWs) bands (ev): -38.6044 -38.6044 -38.5653 -38.5653 -15.8878 -15.8835 -15.6331 -15.6292 -13.2845 -13.2840 -13.1849 -13.1847 -12.9949 -12.9942 -12.8826 -12.8819 -6.5620 -6.5510 -6.0196 -6.0127 -1.5102 -1.4570 -1.3202 -1.3033 -1.0490 -0.9743 -0.8334 -0.7865 -0.3219 -0.2227 -0.0149 0.0755 1.6944 1.7009 1.8271 1.8345 2.1671 2.1748 2.2689 2.2763 2.4131 2.4287 2.9142 2.9240 3.0005 3.0069 3.0609 3.0708 3.3714 3.3811 3.5659 3.5759 3.7552 3.7760 3.8957 3.9182 7.9812 8.0303 8.3911 8.4578 9.1958 9.3001 9.5378 9.5916 10.1196 10.3158 10.4841 10.6899 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.4619 0.2119 ( 16013 PWs) bands (ev): -38.6007 -38.6007 -38.5691 -38.5691 -15.8604 -15.8568 -15.6536 -15.6506 -13.2695 -13.2623 -13.1641 -13.1554 -13.0282 -13.0212 -12.9105 -12.9058 -6.5202 -6.5112 -6.0812 -6.0750 -1.6006 -1.4315 -1.3119 -1.2193 -1.0741 -0.9142 -0.7673 -0.7131 -0.4004 -0.2802 -0.1384 -0.0303 1.7560 1.7605 1.8666 1.8763 2.1622 2.1704 2.3920 2.4006 2.4223 2.4303 2.8298 2.8392 2.9808 2.9872 3.1446 3.1521 3.3914 3.4003 3.5181 3.5307 3.7398 3.7592 3.8505 3.8725 7.9661 8.1633 8.5515 8.6815 9.1207 9.3336 9.4444 9.5456 10.1279 10.2984 10.4031 10.5712 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.4619 0.4238 ( 16001 PWs) bands (ev): -38.5909 -38.5909 -38.5788 -38.5788 -15.7911 -15.7892 -15.7112 -15.7105 -13.2183 -13.2044 -13.1509 -13.1228 -13.0671 -13.0417 -12.9816 -12.9709 -6.4001 -6.3955 -6.2324 -6.2284 -1.5938 -1.4952 -1.2982 -1.2275 -0.9635 -0.8234 -0.6387 -0.5632 -0.4836 -0.4147 -0.3530 -0.2512 1.8267 1.8341 1.9291 1.9373 2.1741 2.1826 2.3896 2.3995 2.6262 2.6420 2.7547 2.7702 3.0051 3.0095 3.2431 3.2455 3.3548 3.3671 3.4274 3.4319 3.7295 3.7392 3.7694 3.7763 8.1998 8.3893 8.6685 8.8285 9.0945 9.2290 9.4899 9.5517 10.1647 10.2211 10.2626 10.3292 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2000 0.3464-0.0000 ( 15993 PWs) bands (ev): -38.6044 -38.6044 -38.5653 -38.5653 -15.9215 -15.9163 -15.6107 -15.6061 -13.2999 -13.2943 -13.1399 -13.1283 -12.9531 -12.9473 -12.9353 -12.9318 -6.6436 -6.6298 -5.9810 -5.9735 -1.5678 -1.5021 -1.3304 -1.1799 -0.9442 -0.9105 -0.8116 -0.7441 -0.5211 -0.3328 -0.0614 0.0184 1.7081 1.7145 1.7727 1.7749 2.2332 2.2389 2.4011 2.4062 2.5861 2.6013 2.7675 2.7796 2.9713 2.9837 3.1891 3.2040 3.2491 3.2594 3.4493 3.4551 3.8104 3.8233 3.9449 3.9726 7.9323 8.0098 8.4494 8.5976 9.0990 9.2588 9.6248 9.6978 9.9759 10.1247 10.5156 10.6951 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2000 0.3464 0.2119 ( 15989 PWs) bands (ev): -38.6007 -38.6007 -38.5691 -38.5691 -15.8897 -15.8852 -15.6374 -15.6340 -13.2724 -13.2668 -13.1283 -13.1194 -12.9875 -12.9859 -12.9473 -12.9428 -6.5891 -6.5778 -6.0543 -6.0473 -1.6491 -1.5330 -1.2445 -1.1860 -1.0014 -0.9058 -0.7413 -0.6442 -0.5344 -0.3737 -0.1703 -0.0697 1.7901 1.7943 1.8411 1.8461 2.1670 2.1720 2.4615 2.4712 2.6402 2.6512 2.7412 2.7491 3.0082 3.0229 3.0955 3.0996 3.3642 3.3680 3.4572 3.4617 3.7684 3.7768 3.9210 3.9363 7.8523 8.0448 8.6863 8.8932 9.0359 9.2192 9.5066 9.6168 10.0038 10.1083 10.4090 10.5354 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2000 0.3464 0.4238 ( 16015 PWs) bands (ev): -38.5909 -38.5909 -38.5788 -38.5788 -15.8077 -15.8053 -15.7103 -15.7097 -13.2051 -13.1979 -13.1208 -13.1083 -13.0475 -13.0350 -12.9877 -12.9807 -6.4383 -6.4320 -6.2348 -6.2295 -1.6610 -1.5797 -1.2990 -1.2314 -0.9383 -0.9008 -0.6186 -0.5467 -0.4868 -0.4358 -0.3476 -0.2489 1.8987 1.9063 2.0204 2.0340 2.0840 2.0982 2.3323 2.3412 2.7504 2.7596 2.8236 2.8322 3.0863 3.0967 3.1862 3.1954 3.3506 3.3542 3.3896 3.3940 3.7213 3.7287 3.8265 3.8327 8.0775 8.2642 8.6848 8.8707 9.0814 9.1902 9.5095 9.6030 10.0669 10.0885 10.2128 10.2547 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2000 0.5774-0.0000 ( 16006 PWs) bands (ev): -38.6044 -38.6044 -38.5653 -38.5653 -15.8105 -15.8073 -15.6916 -15.6886 -13.3724 -13.3684 -13.1148 -13.0990 -12.9959 -12.9927 -12.9281 -12.9232 -6.3809 -6.3731 -6.1270 -6.1211 -1.6175 -1.5717 -1.3635 -1.0478 -1.0148 -0.8659 -0.8317 -0.7821 -0.4357 -0.1573 -0.0372 0.0550 1.6213 1.6229 1.8368 1.8435 2.0787 2.0864 2.2978 2.3007 2.5422 2.5659 2.8360 2.8524 2.9375 2.9463 3.2178 3.2251 3.4119 3.4161 3.4727 3.4782 3.7620 3.7885 3.8384 3.8498 7.7552 7.7877 8.4465 8.6293 9.0284 9.0444 9.6583 9.7023 10.3792 10.5497 10.6245 10.6821 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2000 0.5774 0.2119 ( 16003 PWs) bands (ev): -38.6007 -38.6007 -38.5691 -38.5691 -15.7947 -15.7921 -15.6980 -15.6956 -13.3377 -13.3337 -13.1108 -13.0972 -13.0244 -13.0189 -12.9569 -12.9478 -6.3706 -6.3643 -6.1563 -6.1514 -1.5849 -1.5165 -1.3013 -1.0981 -1.0199 -0.8435 -0.7924 -0.7654 -0.4826 -0.2288 -0.1112 -0.0300 1.6540 1.6561 1.9736 1.9825 2.1503 2.1547 2.2343 2.2467 2.5709 2.5862 2.7986 2.8116 2.9592 2.9691 3.2226 3.2300 3.3564 3.3588 3.4606 3.4657 3.6050 3.6121 3.8861 3.8973 7.9408 8.0326 8.5857 8.7525 9.0921 9.1523 9.5321 9.6044 10.3121 10.4334 10.5856 10.6083 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2000 0.5774 0.4238 ( 16007 PWs) bands (ev): -38.5909 -38.5909 -38.5789 -38.5789 -15.7571 -15.7559 -15.7197 -15.7190 -13.2491 -13.2446 -13.1319 -13.1205 -13.0761 -13.0575 -13.0062 -12.9950 -6.3221 -6.3192 -6.2351 -6.2330 -1.4917 -1.4322 -1.1938 -1.1237 -1.0613 -0.8659 -0.7590 -0.7186 -0.4620 -0.3120 -0.2868 -0.2102 1.7518 1.7573 1.9227 1.9298 2.2725 2.2884 2.4734 2.4828 2.5791 2.5841 2.7209 2.7343 3.0030 3.0105 3.1509 3.1566 3.2361 3.2410 3.3418 3.3447 3.6350 3.6367 3.7965 3.8028 8.3943 8.5077 8.8600 8.9223 9.1103 9.2282 9.3744 9.4316 10.2538 10.3070 10.3915 10.4204 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 the Fermi energy is 4.5531 ev ! total energy = -269.88961733 Ry Harris-Foulkes estimate = -269.88961733 Ry estimated scf accuracy < 3.3E-10 Ry The total energy is the sum of the following terms: one-electron contribution = -99.41489181 Ry hartree contribution = 77.58761117 Ry xc contribution = -61.38193544 Ry ewald contribution = -186.68040125 Ry smearing contrib. (-TS) = 0.00000000 Ry convergence has been achieved in 20 iterations Writing output data file LiIO3.save init_run : 6.62s CPU 20.27s WALL ( 1 calls) electrons : 217.49s CPU 222.24s WALL ( 1 calls) Called by init_run: wfcinit : 3.51s CPU 5.38s WALL ( 1 calls) potinit : 0.36s CPU 1.61s WALL ( 1 calls) Called by electrons: c_bands : 186.73s CPU 189.00s WALL ( 20 calls) sum_band : 27.57s CPU 27.94s WALL ( 20 calls) v_of_rho : 0.48s CPU 1.25s WALL ( 21 calls) v_h : 0.03s CPU 0.03s WALL ( 21 calls) v_xc : 0.43s CPU 0.91s WALL ( 21 calls) newd : 2.14s CPU 2.49s WALL ( 21 calls) mix_rho : 0.68s CPU 1.99s WALL ( 20 calls) Called by c_bands: init_us_2 : 0.46s CPU 0.60s WALL ( 615 calls) cegterg : 181.21s CPU 183.38s WALL ( 300 calls) Called by sum_band: sum_band:bec : 0.51s CPU 0.61s WALL ( 300 calls) addusdens : 0.87s CPU 0.88s WALL ( 20 calls) Called by *egterg: h_psi : 117.77s CPU 119.19s WALL ( 970 calls) s_psi : 7.33s CPU 7.35s WALL ( 970 calls) g_psi : 0.32s CPU 0.36s WALL ( 655 calls) cdiaghg : 23.84s CPU 23.72s WALL ( 955 calls) cegterg:over : 14.69s CPU 14.57s WALL ( 655 calls) cegterg:upda : 5.52s CPU 5.73s WALL ( 655 calls) cegterg:last : 2.82s CPU 2.91s WALL ( 300 calls) Called by h_psi: h_psi:vloc : 98.69s CPU 99.18s WALL ( 970 calls) h_psi:vnl : 18.56s CPU 19.42s WALL ( 970 calls) add_vuspsi : 6.81s CPU 7.12s WALL ( 970 calls) General routines calbec : 16.14s CPU 16.59s WALL ( 1270 calls) fft : 0.65s CPU 3.31s WALL ( 395 calls) fftw : 109.42s CPU 110.12s WALL ( 259480 calls) Parallel routines fft_scatter : 50.01s CPU 50.41s WALL ( 259875 calls) PWSCF : 3m53.21s CPU 4m35.18s WALL This run was terminated on: 9:22:23 20Nov2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=