Program PWSCF v.5.1.1 starts on 21Nov2015 at 0:54:59 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 2659 2659 379 Max 64 64 18 2664 2664 384 Sum 3049 3049 847 127719 127719 18279 bravais-lattice index = 14 lattice parameter (alat) = 10.3585 a.u. unit-cell volume = 908.0131 (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)= 10.358533 celldm(2)= 1.000000 celldm(3)= 0.943337 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 0.943337 ) 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 1.060067 ) 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 ) ( 0.4716683 ) 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 ) ( 0.4716683 ) 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 ) ( 0.4716683 ) 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 0.2120134), wk = 0.0160000 k( 3) = ( 0.0000000 0.0000000 0.4240268), wk = 0.0160000 k( 4) = ( 0.0000000 0.2309401 -0.0000000), wk = 0.0480000 k( 5) = ( 0.0000000 0.2309401 0.2120134), wk = 0.0960000 k( 6) = ( 0.0000000 0.2309401 0.4240268), wk = 0.0960000 k( 7) = ( 0.0000000 0.4618802 -0.0000000), wk = 0.0480000 k( 8) = ( 0.0000000 0.4618802 0.2120134), wk = 0.0960000 k( 9) = ( 0.0000000 0.4618802 0.4240268), wk = 0.0960000 k( 10) = ( 0.2000000 0.3464102 -0.0000000), wk = 0.0480000 k( 11) = ( 0.2000000 0.3464102 0.2120134), wk = 0.0960000 k( 12) = ( 0.2000000 0.3464102 0.4240268), wk = 0.0960000 k( 13) = ( 0.2000000 0.5773503 -0.0000000), wk = 0.0480000 k( 14) = ( 0.2000000 0.5773503 0.2120134), wk = 0.0960000 k( 15) = ( 0.2000000 0.5773503 0.4240268), 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: 127719 G-vectors FFT dimensions: ( 72, 72, 64) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.71 Mb ( 688, 68) NL pseudopotentials 0.76 Mb ( 344, 144) Each V/rho on FFT grid 0.16 Mb ( 10368) Each G-vector array 0.02 Mb ( 2661) G-vector shells 0.01 Mb ( 1268) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 2.86 Mb ( 688, 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 40.5 secs per-process dynamical memory: 42.3 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 53.1 secs total energy = -269.11309975 Ry Harris-Foulkes estimate = -270.97425736 Ry estimated scf accuracy < 4.25559393 Ry iteration # 2 ecut= 103.00 Ry beta=0.30 Davidson diagonalization with overlap ethr = 7.60E-03, avg # of iterations = 2.5 total cpu time spent up to now is 63.1 secs total energy = -269.59614176 Ry Harris-Foulkes estimate = -269.69711899 Ry estimated scf accuracy < 0.23491559 Ry iteration # 3 ecut= 103.00 Ry beta=0.30 Davidson diagonalization with overlap ethr = 4.19E-04, avg # of iterations = 4.0 total cpu time spent up to now is 80.3 secs total energy = -269.84875930 Ry Harris-Foulkes estimate = -269.94892172 Ry estimated scf accuracy < 0.25072700 Ry iteration # 4 ecut= 103.00 Ry beta=0.30 Davidson diagonalization with overlap ethr = 4.19E-04, avg # of iterations = 1.1 total cpu time spent up to now is 88.3 secs total energy = -269.86185540 Ry Harris-Foulkes estimate = -269.87594534 Ry estimated scf accuracy < 0.04352337 Ry iteration # 5 ecut= 103.00 Ry beta=0.30 Davidson diagonalization with overlap ethr = 7.77E-05, avg # of iterations = 3.0 total cpu time spent up to now is 102.3 secs total energy = -269.89397850 Ry Harris-Foulkes estimate = -269.90026626 Ry estimated scf accuracy < 0.03329514 Ry iteration # 6 ecut= 103.00 Ry beta=0.30 Davidson diagonalization with overlap ethr = 5.95E-05, avg # of iterations = 1.0 total cpu time spent up to now is 110.2 secs total energy = -269.88196893 Ry Harris-Foulkes estimate = -269.89425083 Ry estimated scf accuracy < 0.02039121 Ry iteration # 7 ecut= 103.00 Ry beta=0.30 Davidson diagonalization with overlap ethr = 3.64E-05, avg # of iterations = 3.0 total cpu time spent up to now is 124.2 secs total energy = -269.88913795 Ry Harris-Foulkes estimate = -269.89208347 Ry estimated scf accuracy < 0.00731467 Ry iteration # 8 ecut= 103.00 Ry beta=0.30 Davidson diagonalization with overlap ethr = 1.31E-05, avg # of iterations = 1.0 total cpu time spent up to now is 132.2 secs total energy = -269.88853827 Ry Harris-Foulkes estimate = -269.88956240 Ry estimated scf accuracy < 0.00155342 Ry iteration # 9 ecut= 103.00 Ry beta=0.30 Davidson diagonalization with overlap ethr = 2.77E-06, avg # of iterations = 3.1 total cpu time spent up to now is 148.7 secs total energy = -269.88988287 Ry Harris-Foulkes estimate = -269.89055998 Ry estimated scf accuracy < 0.00221241 Ry iteration # 10 ecut= 103.00 Ry beta=0.30 Davidson diagonalization with overlap ethr = 2.77E-06, avg # of iterations = 1.0 total cpu time spent up to now is 156.6 secs total energy = -269.88954899 Ry Harris-Foulkes estimate = -269.88994543 Ry estimated scf accuracy < 0.00079936 Ry iteration # 11 ecut= 103.00 Ry beta=0.30 Davidson diagonalization with overlap ethr = 1.43E-06, avg # of iterations = 3.0 total cpu time spent up to now is 169.3 secs total energy = -269.88991276 Ry Harris-Foulkes estimate = -269.88996975 Ry estimated scf accuracy < 0.00015999 Ry iteration # 12 ecut= 103.00 Ry beta=0.30 Davidson diagonalization with overlap ethr = 2.86E-07, avg # of iterations = 1.0 total cpu time spent up to now is 177.2 secs total energy = -269.88991003 Ry Harris-Foulkes estimate = -269.88991844 Ry estimated scf accuracy < 0.00004987 Ry iteration # 13 ecut= 103.00 Ry beta=0.30 Davidson diagonalization with overlap ethr = 8.91E-08, avg # of iterations = 3.0 total cpu time spent up to now is 189.7 secs total energy = -269.88992159 Ry Harris-Foulkes estimate = -269.88992331 Ry estimated scf accuracy < 0.00000374 Ry iteration # 14 ecut= 103.00 Ry beta=0.30 Davidson diagonalization with overlap ethr = 6.68E-09, avg # of iterations = 1.0 total cpu time spent up to now is 197.6 secs total energy = -269.88992169 Ry Harris-Foulkes estimate = -269.88992193 Ry estimated scf accuracy < 0.00000040 Ry iteration # 15 ecut= 103.00 Ry beta=0.30 Davidson diagonalization with overlap ethr = 7.09E-10, avg # of iterations = 4.0 total cpu time spent up to now is 212.8 secs total energy = -269.88992237 Ry Harris-Foulkes estimate = -269.88992273 Ry estimated scf accuracy < 0.00000130 Ry iteration # 16 ecut= 103.00 Ry beta=0.30 Davidson diagonalization with overlap ethr = 7.09E-10, avg # of iterations = 1.0 total cpu time spent up to now is 220.7 secs total energy = -269.88992212 Ry Harris-Foulkes estimate = -269.88992241 Ry estimated scf accuracy < 0.00000051 Ry iteration # 17 ecut= 103.00 Ry beta=0.30 Davidson diagonalization with overlap ethr = 7.09E-10, avg # of iterations = 3.0 total cpu time spent up to now is 234.1 secs total energy = -269.88992235 Ry Harris-Foulkes estimate = -269.88992242 Ry estimated scf accuracy < 0.00000020 Ry iteration # 18 ecut= 103.00 Ry beta=0.30 Davidson diagonalization with overlap ethr = 3.66E-10, avg # of iterations = 1.0 total cpu time spent up to now is 242.0 secs total energy = -269.88992234 Ry Harris-Foulkes estimate = -269.88992236 Ry estimated scf accuracy < 0.00000005 Ry iteration # 19 ecut= 103.00 Ry beta=0.30 Davidson diagonalization with overlap ethr = 9.11E-11, avg # of iterations = 3.0 total cpu time spent up to now is 255.2 secs total energy = -269.88992236 Ry Harris-Foulkes estimate = -269.88992238 Ry estimated scf accuracy < 0.00000003 Ry iteration # 20 ecut= 103.00 Ry beta=0.30 Davidson diagonalization with overlap ethr = 4.97E-11, avg # of iterations = 1.1 total cpu time spent up to now is 263.2 secs End of self-consistent calculation k = 0.0000 0.0000 0.0000 ( 15955 PWs) bands (ev): -38.6606 -38.6606 -38.6220 -38.6220 -16.0242 -16.0242 -15.4575 -15.4575 -13.0368 -13.0368 -12.9735 -12.9735 -12.9731 -12.9731 -12.9023 -12.9023 -7.1491 -7.1491 -5.9296 -5.9296 -1.3154 -1.3154 -1.1988 -1.1988 -0.9362 -0.9362 -0.6562 -0.6562 -0.6540 -0.6540 -0.6524 -0.6524 1.9091 1.9091 1.9214 1.9214 2.2459 2.2459 2.2559 2.2559 2.5478 2.5478 2.9029 2.9029 3.2365 3.2365 3.2552 3.2552 3.5560 3.5560 3.5725 3.5725 3.8540 3.8540 3.8985 3.8985 8.2202 8.2202 8.6729 8.6729 8.7653 8.7653 9.3615 9.3615 9.6882 9.6882 10.3451 10.3451 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 0.2120 ( 16033 PWs) bands (ev): -38.6570 -38.6570 -38.6257 -38.6257 -15.9736 -15.9736 -15.5156 -15.5155 -13.0656 -13.0152 -12.9989 -12.9930 -12.9424 -12.9408 -12.9311 -12.8728 -7.0403 -7.0403 -6.0544 -6.0541 -1.6955 -1.5438 -1.3438 -1.1217 -1.0492 -1.0102 -0.7967 -0.7140 -0.5778 -0.5285 -0.4551 -0.2969 1.8137 1.8221 2.0632 2.0769 2.2067 2.2124 2.4734 2.4832 2.6135 2.6149 2.9953 2.9988 3.2106 3.2333 3.3446 3.3590 3.5733 3.5824 3.5907 3.5960 3.8051 3.8053 3.9040 3.9086 7.6514 8.0929 8.4968 8.7337 8.8948 9.0271 9.0755 9.2108 9.6186 9.9578 10.0593 10.0823 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 0.4240 ( 16076 PWs) bands (ev): -38.6473 -38.6473 -38.6354 -38.6354 -15.8380 -15.8380 -15.6633 -15.6633 -13.0703 -13.0513 -13.0004 -12.9790 -12.9518 -12.9316 -12.8896 -12.8671 -6.7486 -6.7484 -6.3724 -6.3721 -1.9029 -1.8405 -1.5505 -1.4677 -1.0076 -0.9627 -0.8398 -0.7913 -0.4492 -0.3826 -0.2919 -0.2045 1.9311 1.9410 2.0103 2.0295 2.4764 2.4778 2.5693 2.5762 2.8081 2.8096 3.0182 3.0193 3.3181 3.3410 3.4975 3.5090 3.5111 3.5293 3.5975 3.6088 3.7973 3.8025 3.8807 3.8878 7.4236 7.8080 7.8704 8.2697 9.0571 9.0918 9.2786 9.5869 9.5909 9.6251 9.7023 9.8594 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 ( 16015 PWs) bands (ev): -38.6606 -38.6606 -38.6220 -38.6220 -15.9659 -15.9623 -15.4847 -15.4816 -13.1234 -13.1203 -13.0781 -13.0772 -12.9138 -12.9123 -12.8751 -12.8736 -6.9997 -6.9896 -5.9591 -5.9548 -1.4872 -1.4071 -1.2752 -1.1971 -1.0221 -0.9101 -0.8199 -0.7641 -0.5336 -0.4517 -0.3481 -0.2651 1.7962 1.8014 1.8265 1.8304 2.3280 2.3341 2.4727 2.4969 2.6724 2.6990 2.7954 2.7996 2.9632 2.9718 3.1823 3.1846 3.2191 3.2261 3.5474 3.5491 3.9156 3.9312 3.9784 3.9933 8.0528 8.1586 8.4391 8.5012 9.0059 9.1758 9.3551 9.5666 9.6324 9.6414 10.4079 10.5476 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 0.2120 ( 16018 PWs) bands (ev): -38.6570 -38.6570 -38.6257 -38.6257 -15.9212 -15.9181 -15.5315 -15.5293 -13.1254 -13.1128 -13.0529 -13.0414 -12.9520 -12.9404 -12.8809 -12.8700 -6.9085 -6.9002 -6.0695 -6.0648 -1.7052 -1.5827 -1.2846 -1.1538 -1.0266 -0.9653 -0.7378 -0.7092 -0.5252 -0.4538 -0.3272 -0.2403 1.7774 1.7877 1.9921 2.0021 2.2501 2.2612 2.4861 2.4970 2.7167 2.7319 2.8838 2.8944 2.9592 2.9692 3.2463 3.2475 3.3376 3.3428 3.5647 3.5668 3.9054 3.9144 3.9389 3.9462 7.6497 7.9635 8.6477 8.7484 8.9784 9.1092 9.2318 9.4307 9.6486 9.8295 10.2124 10.3101 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 0.4240 ( 16038 PWs) bands (ev): -38.6473 -38.6473 -38.6354 -38.6354 -15.8026 -15.8007 -15.6530 -15.6529 -13.1016 -13.0896 -13.0253 -13.0059 -12.9788 -12.9764 -12.9042 -12.8969 -6.6635 -6.6583 -6.3450 -6.3401 -1.8230 -1.7526 -1.4546 -1.3727 -0.9678 -0.9308 -0.7289 -0.7059 -0.4515 -0.4136 -0.2598 -0.2215 1.9094 1.9134 2.0725 2.0768 2.2494 2.2580 2.4221 2.4315 2.8335 2.8397 2.9315 2.9455 3.1262 3.1411 3.3736 3.3808 3.4433 3.4501 3.5392 3.5448 3.8279 3.8332 3.8853 3.8941 7.6027 7.8679 8.1714 8.4477 9.0435 9.1834 9.4881 9.6113 9.6872 9.8119 9.9163 9.9463 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 ( 16043 PWs) bands (ev): -38.6606 -38.6606 -38.6220 -38.6220 -15.8295 -15.8251 -15.5675 -15.5635 -13.2334 -13.2330 -13.1389 -13.1386 -12.9426 -12.9419 -12.8336 -12.8329 -6.6690 -6.6580 -6.0964 -6.0889 -1.5261 -1.4871 -1.3227 -1.3105 -1.0711 -1.0002 -0.8286 -0.7777 -0.3262 -0.2068 -0.0206 0.0950 1.7005 1.7075 1.8300 1.8370 2.1835 2.1938 2.2772 2.2828 2.4342 2.4484 2.9122 2.9231 3.0387 3.0432 3.0877 3.0985 3.3699 3.3802 3.5952 3.6052 3.7477 3.7649 3.8813 3.9026 7.8461 7.8902 8.2634 8.3235 9.0900 9.1920 9.4286 9.4757 10.0952 10.2898 10.4678 10.6682 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 0.2120 ( 16037 PWs) bands (ev): -38.6569 -38.6569 -38.6257 -38.6257 -15.8013 -15.7976 -15.5885 -15.5854 -13.2189 -13.2115 -13.1169 -13.1087 -12.9768 -12.9702 -12.8617 -12.8568 -6.6248 -6.6158 -6.1615 -6.1549 -1.6187 -1.4444 -1.3254 -1.2090 -1.0884 -0.9252 -0.7763 -0.7168 -0.4063 -0.2693 -0.1473 -0.0175 1.7558 1.7594 1.8835 1.8928 2.1703 2.1796 2.3993 2.4081 2.4491 2.4561 2.8303 2.8405 3.0010 3.0086 3.1773 3.1834 3.3989 3.4075 3.5335 3.5463 3.7412 3.7559 3.8372 3.8579 7.8268 8.0268 8.4301 8.5580 9.0097 9.2229 9.3392 9.4401 10.1055 10.2698 10.3898 10.5521 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 0.4240 ( 16031 PWs) bands (ev): -38.6473 -38.6473 -38.6354 -38.6354 -15.7299 -15.7280 -15.6477 -15.6470 -13.1680 -13.1539 -13.1004 -13.0709 -13.0209 -12.9940 -12.9336 -12.9226 -6.4979 -6.4935 -6.3210 -6.3170 -1.6055 -1.4978 -1.2986 -1.2138 -0.9762 -0.8331 -0.6413 -0.5675 -0.4953 -0.4177 -0.3628 -0.2544 1.8293 1.8361 1.9359 1.9437 2.1944 2.2034 2.4047 2.4153 2.6501 2.6669 2.7672 2.7841 3.0013 3.0064 3.2503 3.2518 3.3726 3.3860 3.4427 3.4483 3.7334 3.7396 3.7645 3.7703 8.0664 8.2602 8.5528 8.7192 8.9776 9.1058 9.3890 9.4485 10.1485 10.2047 10.2485 10.3141 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 ( 16013 PWs) bands (ev): -38.6606 -38.6606 -38.6220 -38.6220 -15.8637 -15.8584 -15.5442 -15.5393 -13.2505 -13.2450 -13.0918 -13.0799 -12.9044 -12.8981 -12.8845 -12.8807 -6.7488 -6.7348 -6.0538 -6.0454 -1.5710 -1.5222 -1.3621 -1.1955 -0.9678 -0.9427 -0.7996 -0.7378 -0.5160 -0.3242 -0.0677 0.0367 1.7124 1.7202 1.7725 1.7756 2.2349 2.2400 2.4297 2.4326 2.5930 2.6081 2.7937 2.8070 2.9727 2.9847 3.1935 3.2050 3.2723 3.2851 3.4887 3.4938 3.8110 3.8214 3.9358 3.9612 7.8096 7.8807 8.3120 8.4579 8.9761 9.1322 9.5367 9.5847 9.9465 10.0940 10.5125 10.6848 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 0.2120 ( 16007 PWs) bands (ev): -38.6569 -38.6569 -38.6257 -38.6257 -15.8310 -15.8264 -15.5716 -15.5680 -13.2228 -13.2174 -13.0799 -13.0708 -12.9387 -12.9372 -12.8973 -12.8925 -6.6917 -6.6804 -6.1310 -6.1233 -1.6629 -1.5481 -1.2630 -1.1917 -1.0132 -0.9187 -0.7516 -0.6471 -0.5301 -0.3698 -0.1771 -0.0581 1.7979 1.8013 1.8433 1.8494 2.1680 2.1724 2.4817 2.4908 2.6607 2.6705 2.7484 2.7571 3.0072 3.0228 3.1202 3.1224 3.3835 3.3876 3.4940 3.4976 3.7672 3.7749 3.9106 3.9236 7.7158 7.9106 8.5595 8.7671 8.9165 9.0876 9.4174 9.5164 9.9768 10.0834 10.4026 10.5263 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 0.4240 ( 16035 PWs) bands (ev): -38.6473 -38.6473 -38.6354 -38.6354 -15.7466 -15.7442 -15.6465 -15.6458 -13.1552 -13.1480 -13.0709 -13.0581 -13.0001 -12.9868 -12.9399 -12.9322 -6.5336 -6.5275 -6.3205 -6.3151 -1.6750 -1.5886 -1.3069 -1.2336 -0.9436 -0.9052 -0.6276 -0.5488 -0.4909 -0.4391 -0.3528 -0.2522 1.9010 1.9087 2.0205 2.0329 2.1014 2.1151 2.3479 2.3574 2.7628 2.7723 2.8330 2.8430 3.0909 3.1011 3.1961 3.2062 3.3874 3.3920 3.4096 3.4152 3.7184 3.7252 3.8207 3.8263 7.9395 8.1281 8.5545 8.7446 8.9721 9.0774 9.4142 9.5042 10.0504 10.0779 10.2015 10.2445 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 ( 16044 PWs) bands (ev): -38.6606 -38.6606 -38.6220 -38.6220 -15.7506 -15.7474 -15.6283 -15.6252 -13.3225 -13.3184 -13.0669 -13.0506 -12.9447 -12.9417 -12.8771 -12.8724 -6.4866 -6.4785 -6.2169 -6.2106 -1.6218 -1.5679 -1.3952 -1.0534 -1.0360 -0.8983 -0.8047 -0.7593 -0.4271 -0.1609 -0.0336 0.0507 1.6179 1.6197 1.8556 1.8616 2.1048 2.1124 2.3042 2.3067 2.5546 2.5782 2.8556 2.8704 2.9759 2.9837 3.2307 3.2376 3.4277 3.4315 3.5029 3.5083 3.7375 3.7635 3.8096 3.8219 7.6352 7.6661 8.3026 8.4846 8.8985 8.9162 9.5712 9.6077 10.3486 10.5146 10.5907 10.6550 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 0.2120 ( 16013 PWs) bands (ev): -38.6569 -38.6569 -38.6257 -38.6257 -15.7343 -15.7316 -15.6348 -15.6323 -13.2874 -13.2833 -13.0629 -13.0488 -12.9728 -12.9680 -12.9075 -12.8984 -6.4750 -6.4683 -6.2477 -6.2423 -1.5865 -1.5116 -1.3319 -1.1067 -1.0114 -0.8622 -0.7784 -0.7528 -0.4789 -0.2247 -0.1200 -0.0427 1.6504 1.6528 1.9924 2.0009 2.1556 2.1603 2.2521 2.2624 2.5928 2.6081 2.8225 2.8354 2.9918 3.0038 3.2275 3.2335 3.3694 3.3720 3.4849 3.4904 3.5846 3.5927 3.8629 3.8737 7.8207 7.9165 8.4471 8.6126 8.9696 9.0238 9.4414 9.5112 10.2907 10.4071 10.5584 10.5807 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 0.4240 ( 16027 PWs) bands (ev): -38.6473 -38.6473 -38.6354 -38.6354 -15.6955 -15.6942 -15.6570 -15.6562 -13.1975 -13.1928 -13.0809 -13.0686 -13.0289 -13.0087 -12.9602 -12.9481 -6.4226 -6.4196 -6.3304 -6.3282 -1.4880 -1.4205 -1.2008 -1.1121 -1.0658 -0.8630 -0.7695 -0.7076 -0.4689 -0.3183 -0.2980 -0.2304 1.7473 1.7529 1.9191 1.9262 2.2917 2.3065 2.4917 2.5013 2.6103 2.6149 2.7537 2.7670 3.0127 3.0198 3.1641 3.1709 3.2327 3.2382 3.3514 3.3550 3.6305 3.6323 3.7835 3.7894 8.2784 8.3969 8.7361 8.7983 8.9957 9.1092 9.2655 9.3221 10.2427 10.2936 10.3754 10.4010 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 4.5370 ev ! total energy = -269.88992237 Ry Harris-Foulkes estimate = -269.88992237 Ry estimated scf accuracy < 1.5E-09 Ry The total energy is the sum of the following terms: one-electron contribution = -98.86042764 Ry hartree contribution = 77.29280817 Ry xc contribution = -61.34182239 Ry ewald contribution = -186.98048051 Ry smearing contrib. (-TS) = 0.00000000 Ry convergence has been achieved in 20 iterations Writing output data file LiIO3.save init_run : 8.45s CPU 20.94s WALL ( 1 calls) electrons : 217.13s CPU 222.96s WALL ( 1 calls) Called by init_run: wfcinit : 3.66s CPU 5.50s WALL ( 1 calls) potinit : 0.59s CPU 1.58s WALL ( 1 calls) Called by electrons: c_bands : 187.26s CPU 191.18s WALL ( 20 calls) sum_band : 26.78s CPU 27.13s WALL ( 20 calls) v_of_rho : 0.60s CPU 1.26s WALL ( 21 calls) v_h : 0.04s CPU 0.05s WALL ( 21 calls) v_xc : 0.55s CPU 0.90s WALL ( 21 calls) newd : 2.23s CPU 2.38s WALL ( 21 calls) mix_rho : 0.59s CPU 1.43s WALL ( 20 calls) Called by c_bands: init_us_2 : 0.48s CPU 0.63s WALL ( 615 calls) cegterg : 181.70s CPU 185.48s WALL ( 300 calls) Called by sum_band: sum_band:bec : 0.53s CPU 0.62s WALL ( 300 calls) addusdens : 0.83s CPU 0.85s WALL ( 20 calls) Called by *egterg: h_psi : 117.37s CPU 119.21s WALL ( 971 calls) s_psi : 7.46s CPU 7.51s WALL ( 971 calls) g_psi : 0.34s CPU 0.39s WALL ( 656 calls) cdiaghg : 24.77s CPU 25.15s WALL ( 956 calls) cegterg:over : 14.80s CPU 14.64s WALL ( 656 calls) cegterg:upda : 5.82s CPU 6.04s WALL ( 656 calls) cegterg:last : 2.86s CPU 2.97s WALL ( 300 calls) Called by h_psi: h_psi:vloc : 98.29s CPU 99.23s WALL ( 971 calls) h_psi:vnl : 18.68s CPU 19.46s WALL ( 971 calls) add_vuspsi : 6.96s CPU 7.28s WALL ( 971 calls) General routines calbec : 15.95s CPU 16.30s WALL ( 1271 calls) fft : 0.97s CPU 2.12s WALL ( 395 calls) fftw : 109.01s CPU 109.90s WALL ( 261140 calls) Parallel routines fft_scatter : 50.55s CPU 50.69s WALL ( 261535 calls) PWSCF : 3m53.31s CPU 4m34.86s WALL This run was terminated on: 0:59:33 21Nov2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=