Program PWSCF v.5.1.1 starts on 19Dec2015 at 15:22:44 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 file Ni.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3D renormalized 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 45 32 9 1587 950 147 Max 46 33 10 1590 963 152 Sum 2177 1549 437 76237 45817 7123 bravais-lattice index = 14 lattice parameter (alat) = 10.7525 a.u. unit-cell volume = 1243.1780 (a.u.)^3 number of atoms/cell = 12 number of atomic types = 3 number of electrons = 84.00 number of Kohn-Sham states= 100 kinetic-energy cutoff = 42.0000 Ry charge density cutoff = 236.0000 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)= 10.752541 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= 0.000000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.000000 1.000000 0.000000 ) a(3) = ( 0.000000 0.000000 1.000000 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.000000 -0.000000 ) b(2) = ( 0.000000 1.000000 -0.000000 ) b(3) = ( 0.000000 0.000000 1.000000 ) PseudoPot. # 1 for S read from file: /home/autes/Pseudo/S.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 95f1324244b600346090892298cb4451 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 1151 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for As read from file: /home/autes/Pseudo/As.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 91883ac77fc8b4c49e33555c42516b17 Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1209 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 Ni read from file: /home/autes/Pseudo/Ni.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 9d95a5a85785a32f0d1fefdc4874c578 Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1195 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential S 6.00 32.06500 S( 1.00) As 5.00 74.92160 As( 1.00) Ni 10.00 58.69340 Ni( 1.00) 12 Sym. Ops. (no inversion) found ( 9 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 =( -0.5000000 ) ( 0 -1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.5000000 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) f =( -0.5000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.5000000 ) isym = 3 180 deg rotation - cart. axis [0,1,0] cryst. s( 3) = ( -1 0 0 ) f =( 0.0000000 ) ( 0 1 0 ) ( -0.5000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s( 3) = ( -1.0000000 0.0000000 -0.0000000 ) f =( 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( -0.5000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.5000000 ) isym = 4 180 deg rotation - cart. axis [1,0,0] cryst. s( 4) = ( 1 0 0 ) f =( -0.5000000 ) ( 0 -1 0 ) ( -0.5000000 ) ( 0 0 -1 ) ( 0.0000000 ) cart. s( 4) = ( 1.0000000 -0.0000000 -0.0000000 ) f =( -0.5000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( -0.5000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 ) isym = 5 120 deg rotation - cart. axis [-1,-1,-1] cryst. s( 5) = ( 0 0 1 ) ( 1 0 0 ) ( 0 1 0 ) cart. s( 5) = ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 -0.0000000 1.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) isym = 6 120 deg rotation - cart. axis [-1,1,1] cryst. s( 6) = ( 0 0 -1 ) f =( 0.0000000 ) ( -1 0 0 ) ( -0.5000000 ) ( 0 1 0 ) ( 0.5000000 ) cart. s( 6) = ( -0.0000000 -1.0000000 0.0000000 ) f =( 0.0000000 ) ( -0.0000000 0.0000000 1.0000000 ) ( -0.5000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.5000000 ) isym = 7 120 deg rotation - cart. axis [1,1,-1] cryst. s( 7) = ( 0 0 -1 ) f =( -0.5000000 ) ( 1 0 0 ) ( 0.5000000 ) ( 0 -1 0 ) ( 0.0000000 ) cart. s( 7) = ( -0.0000000 1.0000000 -0.0000000 ) f =( -0.5000000 ) ( -0.0000000 0.0000000 -1.0000000 ) ( 0.5000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 ) isym = 8 120 deg rotation - cart. axis [1,-1,1] cryst. s( 8) = ( 0 0 1 ) f =( -0.5000000 ) ( -1 0 0 ) ( 0.0000000 ) ( 0 -1 0 ) ( 0.5000000 ) cart. s( 8) = ( 0.0000000 -1.0000000 -0.0000000 ) f =( -0.5000000 ) ( 0.0000000 -0.0000000 -1.0000000 ) ( 0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.5000000 ) isym = 9 120 deg rotation - cart. axis [1,1,1] cryst. s( 9) = ( 0 1 0 ) ( 0 0 1 ) ( 1 0 0 ) cart. s( 9) = ( 0.0000000 0.0000000 1.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) isym = 10 120 deg rotation - cart. axis [-1,1,-1] cryst. s(10) = ( 0 -1 0 ) f =( -0.5000000 ) ( 0 0 -1 ) ( -0.5000000 ) ( 1 0 0 ) ( 0.0000000 ) cart. s(10) = ( -0.0000000 -0.0000000 1.0000000 ) f =( -0.5000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( -0.5000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 ) isym = 11 120 deg rotation - cart. axis [1,-1,-1] cryst. s(11) = ( 0 -1 0 ) f =( -0.5000000 ) ( 0 0 1 ) ( 0.0000000 ) ( -1 0 0 ) ( 0.5000000 ) cart. s(11) = ( -0.0000000 0.0000000 -1.0000000 ) f =( -0.5000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.5000000 ) isym = 12 120 deg rotation - cart. axis [-1,-1,1] cryst. s(12) = ( 0 1 0 ) f =( 0.0000000 ) ( 0 0 -1 ) ( 0.5000000 ) ( -1 0 0 ) ( 0.5000000 ) cart. s(12) = ( 0.0000000 -0.0000000 -1.0000000 ) f =( 0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.5000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.5000000 ) double point group T (23) there are 7 classes and 3 irreducible representations the character table: E -E 3C2 4C3 -4C3 4C3' -4C3' -3C2 G_5 2.00 -2.00 0.00 1.00 -1.00 1.00 -1.00 G_6 2.00 -2.00 0.00 0.50 -0.50 -0.50 0.50 G_7 2.00 -2.00 0.00 0.50 -0.50 -0.50 0.50 imaginary part E -E 3C2 4C3 -4C3 4C3' -4C3' -3C2 G_5 0.00 0.00 0.00 0.00 0.00 0.00 0.00 G_6 0.00 0.00 0.00 0.87 -0.87 0.87 -0.87 G_7 0.00 0.00 0.00 -0.87 0.87 -0.87 0.87 the symmetry operations in each class: E 1 3C2 -3C2 2 -2 3 -3 4 -4 4C3' 5 7 8 6 4C3 9 12 10 11 -E -1 -4C3' -5 -7 -8 -6 -4C3 -9 -12 -10 -11 Cartesian axes number of k points= 11 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0156250 k( 2) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0937500 k( 3) = ( 0.0000000 0.0000000 -0.5000000), wk = 0.0468750 k( 4) = ( 0.0000000 0.2500000 0.2500000), wk = 0.1875000 k( 5) = ( 0.0000000 0.2500000 -0.5000000), wk = 0.0937500 k( 6) = ( 0.0000000 -0.5000000 -0.5000000), wk = 0.0468750 k( 7) = ( 0.2500000 0.2500000 0.2500000), wk = 0.1250000 k( 8) = ( 0.2500000 0.2500000 -0.5000000), wk = 0.1875000 k( 9) = ( 0.2500000 -0.5000000 -0.5000000), wk = 0.0937500 k( 10) = ( -0.5000000 -0.5000000 -0.5000000), wk = 0.0156250 k( 11) = ( 0.0000000 -0.5000000 0.2500000), wk = 0.0937500 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0156250 k( 2) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0937500 k( 3) = ( 0.0000000 0.0000000 -0.5000000), wk = 0.0468750 k( 4) = ( 0.0000000 0.2500000 0.2500000), wk = 0.1875000 k( 5) = ( 0.0000000 0.2500000 -0.5000000), wk = 0.0937500 k( 6) = ( 0.0000000 -0.5000000 -0.5000000), wk = 0.0468750 k( 7) = ( 0.2500000 0.2500000 0.2500000), wk = 0.1250000 k( 8) = ( 0.2500000 0.2500000 -0.5000000), wk = 0.1875000 k( 9) = ( 0.2500000 -0.5000000 -0.5000000), wk = 0.0937500 k( 10) = ( -0.5000000 -0.5000000 -0.5000000), wk = 0.0156250 k( 11) = ( 0.0000000 -0.5000000 0.2500000), wk = 0.0937500 Dense grid: 76237 G-vectors FFT dimensions: ( 54, 54, 54) Smooth grid: 45817 G-vectors FFT dimensions: ( 45, 45, 45) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.37 Mb ( 244, 100) NL pseudopotentials 0.61 Mb ( 122, 328) Each V/rho on FFT grid 0.09 Mb ( 5832) Each G-vector array 0.01 Mb ( 1589) G-vector shells 0.00 Mb ( 414) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.49 Mb ( 244, 400) Each subspace H/S matrix 2.44 Mb ( 400, 400) Each matrix 1.00 Mb ( 328, 2, 100) Arrays for rho mixing 0.71 Mb ( 5832, 8) Initial potential from superposition of free atoms starting charge 83.99796, renormalised to 84.00000 Starting wfc are 136 randomized atomic wfcs total cpu time spent up to now is 56.0 secs per-process dynamical memory: 51.5 Mb Self-consistent Calculation iteration # 1 ecut= 42.00 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 69.2 secs total energy = -567.06697609 Ry Harris-Foulkes estimate = -568.36631847 Ry estimated scf accuracy < 2.73273726 Ry iteration # 2 ecut= 42.00 Ry beta=0.30 Davidson diagonalization with overlap ethr = 3.25E-03, avg # of iterations = 3.3 total cpu time spent up to now is 79.8 secs total energy = -567.21331523 Ry Harris-Foulkes estimate = -568.88453261 Ry estimated scf accuracy < 8.76981635 Ry iteration # 3 ecut= 42.00 Ry beta=0.30 Davidson diagonalization with overlap ethr = 3.25E-03, avg # of iterations = 2.2 total cpu time spent up to now is 88.7 secs total energy = -568.06969524 Ry Harris-Foulkes estimate = -568.09453623 Ry estimated scf accuracy < 0.07938088 Ry iteration # 4 ecut= 42.00 Ry beta=0.30 Davidson diagonalization with overlap ethr = 9.45E-05, avg # of iterations = 3.7 total cpu time spent up to now is 100.4 secs total energy = -568.09195498 Ry Harris-Foulkes estimate = -568.09380227 Ry estimated scf accuracy < 0.01103691 Ry iteration # 5 ecut= 42.00 Ry beta=0.30 Davidson diagonalization with overlap ethr = 1.31E-05, avg # of iterations = 6.0 total cpu time spent up to now is 112.7 secs total energy = -568.09294173 Ry Harris-Foulkes estimate = -568.09309052 Ry estimated scf accuracy < 0.00076098 Ry iteration # 6 ecut= 42.00 Ry beta=0.30 Davidson diagonalization with overlap ethr = 9.06E-07, avg # of iterations = 3.9 total cpu time spent up to now is 124.6 secs total energy = -568.09307511 Ry Harris-Foulkes estimate = -568.09308712 Ry estimated scf accuracy < 0.00007464 Ry iteration # 7 ecut= 42.00 Ry beta=0.30 Davidson diagonalization with overlap ethr = 8.89E-08, avg # of iterations = 2.1 total cpu time spent up to now is 132.6 secs total energy = -568.09307781 Ry Harris-Foulkes estimate = -568.09308364 Ry estimated scf accuracy < 0.00002460 Ry iteration # 8 ecut= 42.00 Ry beta=0.30 Davidson diagonalization with overlap ethr = 2.93E-08, avg # of iterations = 2.5 total cpu time spent up to now is 142.0 secs total energy = -568.09308079 Ry Harris-Foulkes estimate = -568.09308438 Ry estimated scf accuracy < 0.00001026 Ry iteration # 9 ecut= 42.00 Ry beta=0.30 Davidson diagonalization with overlap ethr = 1.22E-08, avg # of iterations = 2.0 total cpu time spent up to now is 150.2 secs total energy = -568.09308273 Ry Harris-Foulkes estimate = -568.09308317 Ry estimated scf accuracy < 0.00000242 Ry iteration # 10 ecut= 42.00 Ry beta=0.30 Davidson diagonalization with overlap ethr = 2.88E-09, avg # of iterations = 1.1 total cpu time spent up to now is 157.2 secs total energy = -568.09308290 Ry Harris-Foulkes estimate = -568.09308294 Ry estimated scf accuracy < 0.00000016 Ry iteration # 11 ecut= 42.00 Ry beta=0.30 Davidson diagonalization with overlap ethr = 1.92E-10, avg # of iterations = 3.2 total cpu time spent up to now is 170.8 secs total energy = -568.09308295 Ry Harris-Foulkes estimate = -568.09308295 Ry estimated scf accuracy < 0.00000001 Ry iteration # 12 ecut= 42.00 Ry beta=0.30 Davidson diagonalization with overlap ethr = 1.22E-11, avg # of iterations = 3.0 total cpu time spent up to now is 185.1 secs End of self-consistent calculation k = 0.0000 0.0000 0.0000 ( 5743 PWs) bands (ev): -5.6559 -5.6559 -3.8098 -3.8098 -3.8098 -3.8098 -3.8078 -3.8078 -0.7730 -0.7730 -0.7682 -0.7682 -0.7682 -0.7682 0.3361 0.3361 4.2370 4.2370 4.2370 4.2370 4.2456 4.2456 4.7237 4.7237 4.7704 4.7704 4.7704 4.7704 5.2979 5.2979 5.3630 5.3630 5.3630 5.3630 5.4320 5.4320 5.4320 5.4320 5.9907 5.9907 6.4438 6.4438 6.4438 6.4438 6.4738 6.4738 6.7614 6.7614 6.7614 6.7614 7.7688 7.7688 7.8275 7.8275 7.8275 7.8275 8.0315 8.0315 8.0315 8.0315 8.0393 8.0393 8.1267 8.1267 8.1267 8.1267 8.1394 8.1394 8.1658 8.1658 8.1658 8.1658 8.2798 8.2798 8.3243 8.3243 8.3243 8.3243 8.3557 8.3557 9.6975 9.6975 9.6975 9.6975 9.7278 9.7278 11.5420 11.5420 11.9558 11.9558 11.9558 11.9558 12.0167 12.0167 12.9551 12.9551 12.9551 12.9551 14.0785 14.0785 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 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.0000 0.0000 k = 0.0000 0.0000 0.2500 ( 5694 PWs) bands (ev): -5.4543 -5.4543 -4.2165 -4.2160 -3.7679 -3.7672 -3.7206 -3.7204 -0.9723 -0.9684 -0.6953 -0.6942 -0.3768 -0.3727 0.0409 0.0427 3.7596 3.7661 3.8703 3.8745 3.9031 3.9142 4.4926 4.4993 4.5684 4.5824 4.7328 4.7460 5.4271 5.4398 5.5673 5.5826 5.6849 5.6863 5.7288 5.7582 5.8372 5.8389 6.2261 6.2350 6.3654 6.3908 6.4789 6.5294 6.8164 6.8414 6.9912 7.0075 7.2527 7.2530 7.3680 7.3884 7.4186 7.4200 7.9312 7.9316 7.9584 7.9586 8.0208 8.0242 8.0820 8.0825 8.0966 8.1155 8.1559 8.1630 8.1877 8.1923 8.2300 8.2529 8.3110 8.3203 8.3567 8.3772 8.3978 8.4093 8.5802 8.5898 8.8017 8.8082 9.7195 9.7259 9.8757 9.8758 10.0044 10.0202 11.3527 11.3608 11.6178 11.6236 11.8533 11.8886 12.1414 12.1555 12.6402 12.6404 12.8613 12.8617 13.5540 13.5668 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 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.0000 0.0000 k = 0.0000 0.0000-0.5000 ( 5702 PWs) bands (ev): -4.9039 -4.9039 -4.9037 -4.9037 -3.7080 -3.7080 -3.7073 -3.7073 -0.7752 -0.7752 -0.7706 -0.7706 -0.2401 -0.2401 -0.2348 -0.2348 3.4945 3.4945 3.4970 3.4970 3.9275 3.9275 3.9366 3.9366 4.6327 4.6327 4.6524 4.6524 5.6406 5.6406 5.6595 5.6595 5.7285 5.7285 5.7463 5.7463 6.4968 6.4968 6.5146 6.5146 6.6722 6.6722 6.6931 6.6931 7.0244 7.0244 7.0490 7.0490 7.2483 7.2483 7.2602 7.2602 7.7451 7.7451 7.7550 7.7550 7.9725 7.9725 7.9920 7.9920 8.1078 8.1078 8.1297 8.1297 8.1693 8.1693 8.1814 8.1814 8.3232 8.3232 8.3637 8.3637 8.5641 8.5641 8.5796 8.5796 8.6157 8.6157 8.6502 8.6502 10.0438 10.0438 10.0473 10.0473 10.8122 10.8122 10.8257 10.8257 11.3725 11.3725 11.3801 11.3801 12.4824 12.4824 12.5034 12.5034 12.9412 12.9412 13.0143 13.0143 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 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.9999 0.9999 0.9998 0.9998 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.2500 0.2500 ( 5700 PWs) bands (ev): -5.2619 -5.2619 -4.2178 -4.2169 -3.9739 -3.9731 -3.7369 -3.7363 -1.0831 -1.0804 -0.6019 -0.5989 -0.3606 -0.3584 -0.1385 -0.1344 3.5118 3.5230 3.5737 3.5885 4.1504 4.1754 4.4123 4.4207 4.5273 4.5396 4.8450 4.8608 4.9832 4.9969 5.4630 5.4789 5.8069 5.8119 5.9760 5.9910 6.1860 6.1958 6.2839 6.3069 6.5912 6.6298 6.7241 6.7687 6.9394 6.9415 7.1292 7.1535 7.4177 7.4422 7.4715 7.4958 7.5070 7.5327 7.9389 7.9644 7.9742 7.9822 8.0011 8.0162 8.0691 8.0873 8.0934 8.1173 8.1460 8.1508 8.2290 8.2436 8.2605 8.2764 8.3305 8.3482 8.4041 8.4311 8.5238 8.5622 8.6133 8.6179 8.8572 8.8887 9.8558 9.8742 9.9272 9.9509 10.3643 10.3922 11.1981 11.2078 11.4417 11.4618 11.5644 11.5875 11.8645 11.9030 12.2219 12.2377 12.7839 12.8106 13.3642 13.3966 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 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.2500-0.5000 ( 5716 PWs) bands (ev): -4.7481 -4.7481 -4.7477 -4.7477 -3.8622 -3.8622 -3.8615 -3.8615 -0.9037 -0.9037 -0.9001 -0.9001 -0.2775 -0.2775 -0.2740 -0.2740 3.6741 3.6741 3.6830 3.6830 3.8465 3.8465 3.8670 3.8670 4.3912 4.3912 4.4101 4.4101 5.5471 5.5471 5.5549 5.5549 6.2340 6.2340 6.2492 6.2492 6.4520 6.4520 6.4670 6.4670 6.7111 6.7111 6.7629 6.7629 7.0203 7.0203 7.0403 7.0403 7.6620 7.6620 7.6855 7.6855 7.7790 7.7790 7.8057 7.8057 7.9321 7.9321 7.9405 7.9405 8.1019 8.1019 8.1421 8.1421 8.2122 8.2122 8.2628 8.2628 8.3302 8.3302 8.3631 8.3631 8.4975 8.4975 8.5262 8.5262 8.7971 8.7971 8.8522 8.8522 10.0674 10.0674 10.0779 10.0779 10.6423 10.6423 10.6726 10.6726 11.2236 11.2236 11.2509 11.2509 11.7923 11.7923 11.8003 11.8003 13.1169 13.1169 13.1708 13.1708 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 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.9992 0.9992 0.9983 0.9983 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000-0.5000-0.5000 ( 5712 PWs) bands (ev): -4.4632 -4.4632 -4.4632 -4.4632 -4.1518 -4.1518 -4.1518 -4.1518 -1.0269 -1.0269 -1.0269 -1.0269 -0.2710 -0.2710 -0.2710 -0.2710 3.4861 3.4861 3.4861 3.4861 3.5858 3.5858 3.5858 3.5858 5.0906 5.0906 5.0906 5.0906 5.4903 5.4903 5.4903 5.4903 6.4321 6.4321 6.4321 6.4321 6.4902 6.4902 6.4902 6.4902 6.9388 6.9388 6.9388 6.9388 7.0658 7.0658 7.0658 7.0658 7.5281 7.5281 7.5281 7.5281 7.6150 7.6150 7.6150 7.6150 7.9944 7.9944 7.9944 7.9944 8.0559 8.0559 8.0559 8.0559 8.2814 8.2814 8.2814 8.2814 8.3053 8.3053 8.3053 8.3053 8.8082 8.8082 8.8082 8.8082 8.9091 8.9091 8.9091 8.9091 10.3792 10.3792 10.3792 10.3792 10.5763 10.5763 10.5763 10.5763 11.0853 11.0853 11.0853 11.0853 11.4263 11.4263 11.4263 11.4263 13.2010 13.2010 13.2010 13.2010 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 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2500 0.2500 0.2500 ( 5692 PWs) bands (ev): -5.0804 -5.0804 -4.1870 -4.1860 -4.0276 -4.0268 -3.8469 -3.8463 -1.2007 -1.1989 -0.6520 -0.6495 -0.4550 -0.4546 -0.3069 -0.3039 3.4936 3.4958 3.6610 3.6657 3.8957 3.9112 4.4443 4.4491 4.6723 4.6783 5.1268 5.1668 5.2534 5.2536 5.4610 5.4650 5.8106 5.8264 5.9325 5.9400 5.9618 5.9641 6.5459 6.5666 6.8577 6.8757 6.9285 6.9821 7.0111 7.0293 7.2275 7.2566 7.4026 7.4158 7.4582 7.4636 7.7616 7.8164 7.8174 7.9031 7.9851 7.9942 8.0059 8.0192 8.0334 8.0369 8.0738 8.0791 8.1226 8.1288 8.1295 8.1515 8.3509 8.3667 8.3667 8.3762 8.4089 8.4180 8.5589 8.5808 8.7029 8.7280 8.7404 8.7648 9.8785 9.8904 10.1834 10.1923 10.6789 10.6880 11.1380 11.1407 11.1699 11.1893 11.4816 11.4862 11.8714 11.8890 11.9937 12.0048 12.5012 12.5176 13.0226 13.0347 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 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.1973 0.1134 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2500 0.2500-0.5000 ( 5728 PWs) bands (ev): -4.6093 -4.6093 -4.6089 -4.6089 -3.9391 -3.9391 -3.9386 -3.9386 -1.0692 -1.0692 -1.0674 -1.0674 -0.4396 -0.4396 -0.4373 -0.4373 3.5306 3.5306 3.5433 3.5433 4.1854 4.1854 4.2027 4.2027 4.6942 4.6942 4.7118 4.7118 5.6204 5.6204 5.6270 5.6270 6.1404 6.1404 6.1475 6.1475 6.3744 6.3744 6.3878 6.3878 6.8583 6.8583 6.9045 6.9045 7.3075 7.3075 7.3193 7.3193 7.5765 7.5765 7.6101 7.6101 7.7992 7.7992 7.8273 7.8273 7.9905 7.9905 8.0046 8.0046 8.0882 8.0882 8.1235 8.1235 8.1721 8.1721 8.2102 8.2102 8.2549 8.2549 8.2788 8.2788 8.4448 8.4448 8.4600 8.4600 8.7796 8.7796 8.8308 8.8308 10.0587 10.0587 10.0649 10.0649 10.6617 10.6617 10.6821 10.6821 11.2352 11.2352 11.2716 11.2716 11.7098 11.7098 11.7292 11.7292 13.0037 13.0037 13.0367 13.0367 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 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.9996 0.9996 0.9993 0.9993 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2500-0.5000-0.5000 ( 5716 PWs) bands (ev): -4.3647 -4.3647 -4.3643 -4.3643 -4.1284 -4.1284 -4.1279 -4.1279 -1.1649 -1.1649 -1.1647 -1.1647 -0.6510 -0.6510 -0.6506 -0.6506 3.7855 3.7855 3.7876 3.7876 3.9462 3.9462 3.9525 3.9525 5.2113 5.2113 5.2205 5.2205 5.4951 5.4951 5.5119 5.5119 6.2461 6.2461 6.2496 6.2496 6.2850 6.2850 6.2868 6.2868 7.2919 7.2919 7.2929 7.2929 7.3787 7.3787 7.3863 7.3863 7.6062 7.6062 7.6451 7.6451 7.6760 7.6760 7.6971 7.6971 7.9790 7.9790 7.9874 7.9874 8.0335 8.0335 8.0479 8.0479 8.2305 8.2305 8.2575 8.2575 8.2812 8.2812 8.2865 8.2865 8.6733 8.6733 8.6773 8.6773 8.6914 8.6914 8.7057 8.7057 10.0196 10.0196 10.0213 10.0213 10.1729 10.1729 10.1746 10.1746 11.3282 11.3282 11.3499 11.3499 11.4456 11.4456 11.4720 11.4720 13.2008 13.2018 13.2287 13.2305 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 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.3477 0.3477 0.3204 0.3204 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 =-0.5000-0.5000-0.5000 ( 5832 PWs) bands (ev): -4.1820 -4.1820 -4.1820 -4.1820 -4.1820 -4.1820 -4.1807 -4.1807 -1.1437 -1.1437 -1.1435 -1.1435 -1.1435 -1.1435 -1.1435 -1.1435 4.1686 4.1686 4.1802 4.1802 4.1802 4.1802 4.1802 4.1802 5.5755 5.5755 5.6153 5.6153 5.6153 5.6153 5.6153 5.6153 5.8181 5.8181 5.8194 5.8194 5.8194 5.8194 5.8194 5.8194 7.7699 7.7699 7.7699 7.7699 7.7699 7.7699 7.8365 7.8365 7.8637 7.8637 7.8808 7.8808 7.8808 7.8808 7.8808 7.8808 8.0964 8.0964 8.1296 8.1296 8.1296 8.1296 8.1296 8.1296 8.1574 8.1574 8.1574 8.1574 8.1574 8.1574 8.2345 8.2345 8.4691 8.4691 8.5101 8.5101 8.5101 8.5101 8.5101 8.5101 9.6399 9.6399 9.6399 9.6399 9.6399 9.6399 9.6719 9.6719 11.2430 11.2430 11.2430 11.2430 11.2430 11.2430 11.2659 11.2659 13.1094 13.1112 13.1160 13.1160 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 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 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 = 0.0000-0.5000 0.2500 ( 5716 PWs) bands (ev): -4.7484 -4.7484 -4.7481 -4.7481 -3.8608 -3.8608 -3.8603 -3.8603 -0.9366 -0.9366 -0.9340 -0.9340 -0.2251 -0.2251 -0.2207 -0.2207 3.2659 3.2659 3.2797 3.2797 4.1306 4.1306 4.1623 4.1623 4.8223 4.8223 4.8449 4.8449 5.2537 5.2537 5.2845 5.2845 6.1742 6.1742 6.1882 6.1882 6.5027 6.5027 6.5164 6.5164 6.6489 6.6489 6.6768 6.6768 7.0495 7.0495 7.0820 7.0820 7.4779 7.4779 7.5164 7.5164 7.8229 7.8229 7.8467 7.8467 8.0051 8.0051 8.0283 8.0283 8.1131 8.1131 8.1246 8.1246 8.1706 8.1706 8.2602 8.2602 8.3288 8.3288 8.3884 8.3884 8.4850 8.4850 8.5121 8.5121 8.7556 8.7556 8.7976 8.7976 10.0980 10.0980 10.1167 10.1167 10.7632 10.7632 10.7864 10.7864 11.3460 11.3460 11.3890 11.3890 11.9511 11.9511 11.9844 11.9844 12.9611 12.9611 13.0089 13.0089 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 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.9924 0.9924 0.9706 0.9706 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 the Fermi energy is 10.1643 ev ! total energy = -568.09308295 Ry Harris-Foulkes estimate = -568.09308295 Ry estimated scf accuracy < 6.6E-09 Ry The total energy is the sum of the following terms: one-electron contribution = -96.53522412 Ry hartree contribution = 130.08718830 Ry xc contribution = -233.66486824 Ry ewald contribution = -367.97979313 Ry smearing contrib. (-TS) = -0.00038577 Ry convergence has been achieved in 12 iterations Writing output data file NiAsS.save init_run : 6.83s CPU 24.23s WALL ( 1 calls) electrons : 125.25s CPU 129.41s WALL ( 1 calls) Called by init_run: wfcinit : 3.53s CPU 4.24s WALL ( 1 calls) potinit : 0.41s CPU 2.66s WALL ( 1 calls) Called by electrons: c_bands : 104.06s CPU 105.34s WALL ( 12 calls) sum_band : 13.76s CPU 14.68s WALL ( 12 calls) v_of_rho : 0.30s CPU 1.28s WALL ( 13 calls) v_h : 0.01s CPU 0.01s WALL ( 13 calls) v_xc : 0.28s CPU 0.69s WALL ( 13 calls) newd : 7.01s CPU 7.52s WALL ( 13 calls) mix_rho : 0.48s CPU 1.45s WALL ( 12 calls) Called by c_bands: init_us_2 : 0.15s CPU 0.20s WALL ( 275 calls) cegterg : 100.05s CPU 101.22s WALL ( 132 calls) Called by sum_band: sum_band:bec : 2.25s CPU 2.28s WALL ( 132 calls) addusdens : 1.98s CPU 2.01s WALL ( 12 calls) Called by *egterg: h_psi : 43.20s CPU 43.90s WALL ( 539 calls) s_psi : 9.39s CPU 9.55s WALL ( 539 calls) g_psi : 0.07s CPU 0.07s WALL ( 396 calls) cdiaghg : 31.80s CPU 31.90s WALL ( 528 calls) cegterg:over : 8.18s CPU 8.13s WALL ( 396 calls) cegterg:upda : 1.82s CPU 1.90s WALL ( 396 calls) cegterg:last : 1.01s CPU 1.03s WALL ( 132 calls) Called by h_psi: h_psi:vloc : 25.34s CPU 25.77s WALL ( 539 calls) h_psi:vnl : 17.79s CPU 18.01s WALL ( 539 calls) add_vuspsi : 7.04s CPU 7.27s WALL ( 539 calls) General routines calbec : 14.50s CPU 14.46s WALL ( 671 calls) fft : 1.01s CPU 2.44s WALL ( 387 calls) ffts : 0.06s CPU 0.22s WALL ( 100 calls) fftw : 28.62s CPU 28.99s WALL ( 163432 calls) interpolate : 0.19s CPU 0.35s WALL ( 100 calls) Parallel routines fft_scatter : 20.28s CPU 20.35s WALL ( 163919 calls) PWSCF : 2m20.58s CPU 3m19.66s WALL This run was terminated on: 15:25:59 19Dec2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=