Program PWSCF v.5.3.0 (svn rev. 11974) starts on 24Dec2016 at 20:27:56 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 36 processors R & G space division: proc/nbgrp/npool/nimage = 36 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: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 40 40 11 2109 2109 315 Max 42 42 12 2116 2116 318 Sum 1453 1453 421 76027 76027 11393 bravais-lattice index = 14 lattice parameter (alat) = 8.1069 a.u. unit-cell volume = 787.3228 (a.u.)^3 number of atoms/cell = 5 number of atomic types = 3 number of electrons = 50.00 number of Kohn-Sham states= 60 kinetic-energy cutoff = 80.0000 Ry charge density cutoff = 320.0000 Ry convergence threshold = 1.0E-08 mixing beta = 0.7000 number of iterations used = 8 plain mixing Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 8.106924 celldm(2)= 1.000000 celldm(3)= 1.706294 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 1.706294 ) 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 0.586066 ) PseudoPot. # 1 for As read from file: /users/gautes/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. # 2 for Sr read from file: /users/gautes/Pseudo/Sr.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 971034ad0a3914f6282d12395b0824f8 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 1221 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. # 3 for Mn read from file: /users/gautes/Pseudo/Mn.rel-pbe-oncvpsp.UPF MD5 check sum: d838f0974ec4eb0180564ac5264e0bcc Pseudo is Norm-conserving, Zval = 15.0 Generated using ONCVPSP code by D. R. Hamann Using radial grid of 1464 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 atomic species valence mass pseudopotential As 5.00 74.92160 As( 1.00) Sr 10.00 87.62000 Sr( 1.00) Mn 15.00 54.93800 Mn( 1.00) 12 Sym. Ops., with inversion, found 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 [1,0,0] cryst. s( 2) = ( 1 0 0 ) ( -1 -1 0 ) ( 0 0 -1 ) cart. s( 2) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 3 120 deg rotation - cryst. axis [0,0,1] cryst. s( 3) = ( 0 1 0 ) ( -1 -1 0 ) ( 0 0 1 ) cart. s( 3) = ( -0.5000000 -0.8660254 0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 4 120 deg rotation - cryst. axis [0,0,-1] cryst. s( 4) = ( -1 -1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s( 4) = ( -0.5000000 0.8660254 -0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 5 180 deg rotation - cryst. axis [0,1,0] cryst. s( 5) = ( -1 -1 0 ) ( 0 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 = 6 180 deg rotation - cryst. axis [1,1,0] cryst. s( 6) = ( 0 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 ) isym = 7 inversion cryst. s( 7) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 7) = ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 8 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s( 8) = ( -1 0 0 ) ( 1 1 0 ) ( 0 0 1 ) cart. s( 8) = ( -1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 9 inv. 120 deg rotation - cryst. axis [0,0,1] cryst. s( 9) = ( 0 -1 0 ) ( 1 1 0 ) ( 0 0 -1 ) cart. s( 9) = ( 0.5000000 0.8660254 -0.0000000 ) ( -0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 10 inv. 120 deg rotation - cryst. axis [0,0,-1] cryst. s(10) = ( 1 1 0 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s(10) = ( 0.5000000 -0.8660254 0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 11 inv. 180 deg rotation - cryst. axis [0,1,0] cryst. s(11) = ( 1 1 0 ) ( 0 -1 0 ) ( 0 0 1 ) cart. s(11) = ( 0.5000000 0.8660254 -0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 12 inv. 180 deg rotation - cryst. axis [1,1,0] cryst. s(12) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 1 ) cart. s(12) = ( 0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) double point group D_3d (-3m) there are 12 classes and 6 irreducible representations the character table: E -E 2C3 -2C3 3C2' -3C2' i -i 2S6 -2S6 3s_v -3s_v G_4+ 2.00 -2.00 1.00 -1.00 0.00 0.00 2.00 -2.00 1.00 -1.00 0.00 0.00 G_5+ 1.00 -1.00 -1.00 1.00 0.00 0.00 1.00 -1.00 -1.00 1.00 0.00 0.00 G_6+ 1.00 -1.00 -1.00 1.00 0.00 0.00 1.00 -1.00 -1.00 1.00 0.00 0.00 G_4- 2.00 -2.00 1.00 -1.00 0.00 0.00 -2.00 2.00 -1.00 1.00 0.00 0.00 G_5- 1.00 -1.00 -1.00 1.00 0.00 0.00 -1.00 1.00 1.00 -1.00 0.00 0.00 G_6- 1.00 -1.00 -1.00 1.00 0.00 0.00 -1.00 1.00 1.00 -1.00 0.00 0.00 imaginary part E -E 2C3 -2C3 3C2' -3C2' i -i 2S6 -2S6 3s_v -3s_v G_4+ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 G_5+ 0.00 0.00 0.00 0.00 1.00 -1.00 0.00 0.00 0.00 0.00 1.00 -1.00 G_6+ 0.00 0.00 0.00 0.00 -1.00 1.00 0.00 0.00 0.00 0.00 -1.00 1.00 G_4- 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 G_5- 0.00 0.00 0.00 0.00 1.00 -1.00 0.00 0.00 0.00 0.00 -1.00 1.00 G_6- 0.00 0.00 0.00 0.00 -1.00 1.00 0.00 0.00 0.00 0.00 1.00 -1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E 2C3 3 4 120 deg rotation - cryst. axis [0,0,1] -2C3 -3 -4 120 deg rotation - cryst. axis [0,0,1] E 3C2' 2 5 -6 180 deg rotation - cart. axis [1,0,0] 3C2' 6 -5 -2 180 deg rotation - cryst. axis [1,1,0] i 7 inversion -i -7 inversion E 2S6 9 10 inv. 120 deg rotation - cryst. axis [0,0,1] -2S6 -9 -10 inv. 120 deg rotation - cryst. axis [0,0,1] E 3s_v 8 11 -12 inv. 180 deg rotation - cart. axis [1,0,0] 3s_v 12 -11 -8 inv. 180 deg rotation - cryst. axis [1,1,0] Cartesian axes number of k points= 17 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0092593 k( 2) = ( 0.0000000 0.0000000 0.1953552), wk = 0.0185185 k( 3) = ( 0.0000000 0.1924501 -0.0000000), wk = 0.0555556 k( 4) = ( 0.0000000 0.1924501 0.1953552), wk = 0.0555556 k( 5) = ( 0.0000000 0.3849002 -0.0000000), wk = 0.0555556 k( 6) = ( 0.0000000 0.3849002 0.1953552), wk = 0.0555556 k( 7) = ( 0.0000000 -0.5773503 0.0000000), wk = 0.0277778 k( 8) = ( 0.0000000 -0.5773503 0.1953552), wk = 0.0555556 k( 9) = ( 0.1666667 0.2886751 -0.0000000), wk = 0.0555556 k( 10) = ( 0.1666667 0.2886751 0.1953552), wk = 0.1111111 k( 11) = ( 0.1666667 0.4811252 -0.0000000), wk = 0.1111111 k( 12) = ( 0.1666667 0.4811252 0.1953552), wk = 0.1111111 k( 13) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0185185 k( 14) = ( 0.3333333 0.5773503 0.1953552), wk = 0.0370370 k( 15) = ( 0.0000000 0.1924501 -0.1953552), wk = 0.0555556 k( 16) = ( 0.0000000 0.3849002 -0.1953552), wk = 0.0555556 k( 17) = ( -0.1666667 0.4811252 -0.1953552), wk = 0.1111111 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0092593 k( 2) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0185185 k( 3) = ( 0.0000000 0.1666667 -0.0000000), wk = 0.0555556 k( 4) = ( 0.0000000 0.1666667 0.3333333), wk = 0.0555556 k( 5) = ( 0.0000000 0.3333333 -0.0000000), wk = 0.0555556 k( 6) = ( 0.0000000 0.3333333 0.3333333), wk = 0.0555556 k( 7) = ( 0.0000000 -0.5000000 -0.0000000), wk = 0.0277778 k( 8) = ( 0.0000000 -0.5000000 0.3333333), wk = 0.0555556 k( 9) = ( 0.1666667 0.1666667 -0.0000000), wk = 0.0555556 k( 10) = ( 0.1666667 0.1666667 0.3333333), wk = 0.1111111 k( 11) = ( 0.1666667 0.3333333 -0.0000000), wk = 0.1111111 k( 12) = ( 0.1666667 0.3333333 0.3333333), wk = 0.1111111 k( 13) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0185185 k( 14) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0370370 k( 15) = ( 0.0000000 0.1666667 -0.3333333), wk = 0.0555556 k( 16) = ( 0.0000000 0.3333333 -0.3333333), wk = 0.0555556 k( 17) = ( -0.1666667 0.5000000 -0.3333333), wk = 0.1111111 Dense grid: 76027 G-vectors FFT dimensions: ( 48, 48, 80) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.50 Mb ( 542, 60) NL pseudopotentials 0.54 Mb ( 271, 130) Each V/rho on FFT grid 0.11 Mb ( 6912) Each G-vector array 0.02 Mb ( 2111) G-vector shells 0.01 Mb ( 978) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.98 Mb ( 542, 240) Each subspace H/S matrix 0.05 Mb ( 60, 60) Each matrix 0.24 Mb ( 130, 2, 60) Arrays for rho mixing 0.84 Mb ( 6912, 8) Initial potential from superposition of free atoms starting charge 49.99090, renormalised to 50.00000 Starting wfc are 72 randomized atomic wfcs total cpu time spent up to now is 3.0 secs per-process dynamical memory: 37.3 Mb Self-consistent Calculation iteration # 1 ecut= 80.00 Ry beta=0.70 Davidson diagonalization with overlap ethr = 1.00E-02, avg # of iterations = 3.1 total cpu time spent up to now is 6.9 secs total energy = -520.25055117 Ry Harris-Foulkes estimate = -520.98472111 Ry estimated scf accuracy < 0.92243378 Ry iteration # 2 ecut= 80.00 Ry beta=0.70 Davidson diagonalization with overlap ethr = 1.84E-03, avg # of iterations = 3.1 total cpu time spent up to now is 11.0 secs total energy = -518.46360569 Ry Harris-Foulkes estimate = -523.50309220 Ry estimated scf accuracy < 28.93432320 Ry iteration # 3 ecut= 80.00 Ry beta=0.70 Davidson diagonalization with overlap ethr = 1.84E-03, avg # of iterations = 3.9 total cpu time spent up to now is 15.3 secs total energy = -520.72663171 Ry Harris-Foulkes estimate = -520.89256440 Ry estimated scf accuracy < 0.81181469 Ry iteration # 4 ecut= 80.00 Ry beta=0.70 Davidson diagonalization with overlap ethr = 1.62E-03, avg # of iterations = 2.1 total cpu time spent up to now is 18.3 secs total energy = -520.80850591 Ry Harris-Foulkes estimate = -520.82559401 Ry estimated scf accuracy < 0.04866060 Ry iteration # 5 ecut= 80.00 Ry beta=0.70 Davidson diagonalization with overlap ethr = 9.73E-05, avg # of iterations = 3.2 total cpu time spent up to now is 21.7 secs total energy = -520.81627205 Ry Harris-Foulkes estimate = -520.81709880 Ry estimated scf accuracy < 0.00245546 Ry iteration # 6 ecut= 80.00 Ry beta=0.70 Davidson diagonalization with overlap ethr = 4.91E-06, avg # of iterations = 2.8 total cpu time spent up to now is 25.1 secs total energy = -520.81667095 Ry Harris-Foulkes estimate = -520.81678724 Ry estimated scf accuracy < 0.00035004 Ry iteration # 7 ecut= 80.00 Ry beta=0.70 Davidson diagonalization with overlap ethr = 7.00E-07, avg # of iterations = 2.1 total cpu time spent up to now is 28.1 secs total energy = -520.81673313 Ry Harris-Foulkes estimate = -520.81673845 Ry estimated scf accuracy < 0.00002279 Ry iteration # 8 ecut= 80.00 Ry beta=0.70 Davidson diagonalization with overlap ethr = 4.56E-08, avg # of iterations = 2.7 total cpu time spent up to now is 31.3 secs total energy = -520.81673728 Ry Harris-Foulkes estimate = -520.81673744 Ry estimated scf accuracy < 0.00000097 Ry iteration # 9 ecut= 80.00 Ry beta=0.70 Davidson diagonalization with overlap ethr = 1.94E-09, avg # of iterations = 3.5 total cpu time spent up to now is 34.9 secs total energy = -520.81673746 Ry Harris-Foulkes estimate = -520.81673754 Ry estimated scf accuracy < 0.00000035 Ry iteration # 10 ecut= 80.00 Ry beta=0.70 Davidson diagonalization with overlap ethr = 7.06E-10, avg # of iterations = 2.2 total cpu time spent up to now is 37.8 secs End of self-consistent calculation k = 0.0000 0.0000 0.0000 ( 9507 PWs) bands (ev): -70.1572 -70.1572 -70.1570 -70.1570 -39.9390 -39.9390 -39.9195 -39.9195 -38.7759 -38.7759 -38.7541 -38.7541 -38.6870 -38.6870 -38.6656 -38.6656 -26.8478 -26.8478 -9.6677 -9.6677 -8.5716 -8.5716 -8.4880 -8.4880 -2.9123 -2.9123 -2.0461 -2.0461 4.0583 4.0583 5.7860 5.7860 5.8533 5.8533 5.8793 5.8793 5.9304 5.9304 5.9479 5.9479 7.4456 7.4456 7.4903 7.4903 8.2103 8.2103 8.3481 8.3481 8.3517 8.3517 9.5168 9.5168 9.5221 9.5221 9.9390 9.9390 10.0620 10.0620 10.3732 10.3732 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 0.9721 0.9721 0.0014 0.0014 0.0011 0.0011 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 0.1954 ( 9544 PWs) bands (ev): -70.1609 -70.1609 -70.1570 -70.1570 -39.9390 -39.9390 -39.9195 -39.9195 -38.7759 -38.7759 -38.7542 -38.7542 -38.6871 -38.6871 -38.6657 -38.6657 -26.8478 -26.8478 -9.6682 -9.6682 -8.5731 -8.5731 -8.4880 -8.4880 -2.7257 -2.7257 -2.2776 -2.2776 4.4563 4.4563 5.4483 5.4483 5.6668 5.6668 5.7354 5.7354 6.0186 6.0186 6.0834 6.0834 7.5157 7.5157 7.5667 7.5667 8.1851 8.1851 8.2790 8.2790 8.2795 8.2795 9.2915 9.2915 9.5084 9.5084 9.5381 9.5381 10.1034 10.1034 10.1713 10.1713 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 0.9955 0.9955 0.1831 0.1831 0.1783 0.1783 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.1925-0.0000 ( 9512 PWs) bands (ev): -70.1583 -70.1583 -70.1565 -70.1565 -39.9379 -39.9379 -39.9208 -39.9208 -38.7750 -38.7750 -38.7559 -38.7559 -38.6854 -38.6854 -38.6667 -38.6667 -26.8452 -26.8452 -9.6805 -9.6805 -8.5762 -8.5762 -8.5196 -8.5196 -2.7377 -2.7377 -2.0209 -2.0209 4.3012 4.3012 5.4263 5.4263 5.5534 5.5534 5.8371 5.8371 5.9391 5.9391 6.0203 6.0203 7.4154 7.4154 7.4594 7.4594 8.0107 8.0107 8.2691 8.2691 8.3017 8.3017 8.8015 8.8015 9.2293 9.2293 9.3688 9.3688 10.0033 10.0033 10.0761 10.0761 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 0.3173 0.3173 0.0405 0.0405 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.1925 0.1954 ( 9531 PWs) bands (ev): -70.1595 -70.1595 -70.1570 -70.1570 -39.9379 -39.9379 -39.9208 -39.9208 -38.7750 -38.7750 -38.7560 -38.7560 -38.6855 -38.6855 -38.6667 -38.6667 -26.8452 -26.8452 -9.6808 -9.6808 -8.5773 -8.5773 -8.5196 -8.5196 -2.5818 -2.5818 -2.2055 -2.2055 4.5629 4.5629 5.0423 5.0423 5.6810 5.6810 5.7540 5.7540 5.9429 5.9429 6.1343 6.1343 7.4395 7.4395 7.5031 7.5031 7.9889 7.9889 8.2600 8.2600 8.2753 8.2753 8.9332 8.9332 9.2417 9.2417 9.5455 9.5455 9.5658 9.5658 9.5863 9.5863 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 0.4752 0.4752 0.2280 0.2280 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.3849-0.0000 ( 9520 PWs) bands (ev): -70.1596 -70.1596 -70.1560 -70.1560 -39.9352 -39.9352 -39.9240 -39.9240 -38.7725 -38.7725 -38.7601 -38.7601 -38.6816 -38.6816 -38.6695 -38.6695 -26.8399 -26.8399 -9.7093 -9.7093 -8.6216 -8.6216 -8.5389 -8.5389 -2.3432 -2.3432 -1.9809 -1.9809 4.4906 4.4906 4.7181 4.7181 5.3212 5.3212 5.8545 5.8545 5.9083 5.9083 6.2166 6.2166 7.3750 7.3750 7.4235 7.4235 7.7259 7.7259 8.0817 8.0817 8.1327 8.1327 8.3175 8.3175 8.7040 8.7040 8.8705 8.8705 9.1003 9.1003 9.7018 9.7018 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 0.9999 0.9999 0.0131 0.0131 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.3849 0.1954 ( 9518 PWs) bands (ev): -70.1585 -70.1585 -70.1567 -70.1567 -39.9352 -39.9352 -39.9240 -39.9240 -38.7725 -38.7725 -38.7601 -38.7601 -38.6817 -38.6817 -38.6695 -38.6695 -26.8399 -26.8399 -9.7093 -9.7093 -8.6215 -8.6215 -8.5392 -8.5392 -2.2667 -2.2667 -2.0625 -2.0625 4.3465 4.3465 4.6595 4.6595 5.5541 5.5541 5.8763 5.8763 5.9352 5.9352 6.2167 6.2167 7.3450 7.3450 7.4826 7.4826 7.6659 7.6659 8.0376 8.0376 8.1751 8.1751 8.5359 8.5359 8.7072 8.7072 8.8110 8.8110 9.0912 9.0912 9.7193 9.7193 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 0.9979 0.9979 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000-0.5774 0.0000 ( 9516 PWs) bands (ev): -70.1584 -70.1584 -70.1565 -70.1565 -39.9330 -39.9330 -39.9265 -39.9265 -38.7703 -38.7703 -38.7631 -38.7631 -38.6789 -38.6789 -38.6718 -38.6718 -26.8372 -26.8372 -9.7252 -9.7252 -8.6528 -8.6528 -8.5364 -8.5364 -2.0449 -2.0449 -2.0382 -2.0382 4.1193 4.1193 4.5621 4.5621 5.5376 5.5376 5.8925 5.8925 5.9096 5.9096 6.3180 6.3180 7.3631 7.3631 7.3653 7.3653 7.6727 7.6727 8.0191 8.0191 8.1720 8.1720 8.2950 8.2950 8.2977 8.2977 8.4038 8.4038 8.7614 8.7614 9.6555 9.6555 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 0.9983 0.9983 0.0648 0.0648 0.0537 0.0537 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000-0.5774 0.1954 ( 9482 PWs) bands (ev): -70.1566 -70.1566 -70.1548 -70.1548 -39.9330 -39.9330 -39.9265 -39.9265 -38.7702 -38.7702 -38.7630 -38.7630 -38.6789 -38.6789 -38.6717 -38.6717 -26.8372 -26.8372 -9.7251 -9.7251 -8.6525 -8.6525 -8.5365 -8.5365 -2.1800 -2.1800 -1.8920 -1.8920 4.0047 4.0047 4.4143 4.4143 5.7774 5.7774 5.9046 5.9046 6.0171 6.0171 6.2153 6.2153 7.3440 7.3440 7.4806 7.4806 7.6862 7.6862 7.8377 7.8377 8.2277 8.2277 8.3433 8.3433 8.3572 8.3572 8.4865 8.4865 9.1227 9.1227 9.8704 9.8704 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 0.9071 0.9071 0.0020 0.0020 0.0007 0.0007 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1667 0.2887-0.0000 ( 9533 PWs) bands (ev): -70.1600 -70.1600 -70.1568 -70.1568 -39.9360 -39.9360 -39.9231 -39.9231 -38.7732 -38.7732 -38.7590 -38.7590 -38.6827 -38.6827 -38.6687 -38.6687 -26.8412 -26.8412 -9.7012 -9.7012 -8.6006 -8.6006 -8.5456 -8.5456 -2.4526 -2.4526 -1.9851 -1.9851 4.5574 4.5574 5.0612 5.0612 5.1573 5.1573 5.7923 5.7923 5.9891 5.9891 6.0116 6.0116 7.3249 7.3249 7.5032 7.5032 7.7226 7.7226 8.1374 8.1374 8.1711 8.1711 8.4256 8.4256 8.7855 8.7855 8.9758 8.9758 9.2493 9.2493 9.9546 9.9546 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 0.9999 0.9999 0.9984 0.9984 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1667 0.2887 0.1954 ( 9519 PWs) bands (ev): -70.1585 -70.1585 -70.1568 -70.1568 -39.9360 -39.9360 -39.9231 -39.9231 -38.7732 -38.7732 -38.7589 -38.7589 -38.6827 -38.6827 -38.6686 -38.6686 -26.8412 -26.8412 -9.7013 -9.7013 -8.6006 -8.6006 -8.5459 -8.5459 -2.3794 -2.3794 -2.0634 -2.0634 4.4870 4.4870 4.6749 4.6749 5.6605 5.6605 5.8072 5.8072 5.9433 5.9433 6.0922 6.0922 7.3342 7.3342 7.4797 7.4797 7.8074 7.8074 8.0988 8.0988 8.1576 8.1576 8.5586 8.5586 8.7227 8.7227 9.0554 9.0554 9.4265 9.4265 9.7109 9.7109 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 0.9994 0.9994 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1667 0.4811-0.0000 ( 9504 PWs) bands (ev): -70.1583 -70.1583 -70.1553 -70.1553 -39.9330 -39.9330 -39.9265 -39.9265 -38.7703 -38.7703 -38.7630 -38.7630 -38.6789 -38.6789 -38.6718 -38.6718 -26.8372 -26.8372 -9.7232 -9.7232 -8.6410 -8.6410 -8.5517 -8.5517 -2.1122 -2.1122 -1.9708 -1.9708 4.3532 4.3532 4.6444 4.6444 5.3479 5.3479 5.7444 5.7444 5.9524 5.9524 6.0572 6.0572 7.2622 7.2622 7.4156 7.4156 7.6608 7.6608 7.9822 7.9822 8.1376 8.1376 8.1882 8.1882 8.5261 8.5261 8.5994 8.5994 8.7037 8.7037 9.7649 9.7649 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 0.9999 0.9999 0.9944 0.9944 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1667 0.4811 0.1954 ( 9497 PWs) bands (ev): -70.1571 -70.1571 -70.1559 -70.1559 -39.9330 -39.9330 -39.9265 -39.9265 -38.7703 -38.7703 -38.7630 -38.7630 -38.6789 -38.6789 -38.6717 -38.6717 -26.8372 -26.8372 -9.7232 -9.7232 -8.6407 -8.6407 -8.5518 -8.5518 -2.1260 -2.1260 -1.9559 -1.9559 4.2531 4.2531 4.5638 4.5638 5.5074 5.5074 5.7484 5.7484 5.9719 5.9719 6.0993 6.0993 7.2914 7.2914 7.4600 7.4600 7.5998 7.5998 7.8874 7.8874 8.1172 8.1172 8.2553 8.2553 8.4745 8.4745 8.6897 8.6897 9.0768 9.0768 9.6479 9.6479 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 0.5623 0.5623 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3333 0.5774-0.0000 ( 9504 PWs) bands (ev): -70.1569 -70.1569 -70.1569 -70.1569 -39.9299 -39.9299 -39.9297 -39.9297 -38.7682 -38.7682 -38.7655 -38.7655 -38.6764 -38.6764 -38.6741 -38.6741 -26.8359 -26.8359 -9.7291 -9.7291 -8.6443 -8.6443 -8.5661 -8.5661 -1.9814 -1.9814 -1.9734 -1.9734 4.5631 4.5631 4.6355 4.6355 4.9643 4.9643 5.6518 5.6518 5.9502 5.9502 5.9559 5.9559 7.1898 7.1898 7.3484 7.3484 7.8668 7.8668 7.8704 7.8704 8.0704 8.0704 8.2871 8.2871 8.2900 8.2900 8.5983 8.5983 8.6373 8.6373 9.7526 9.7526 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 0.1104 0.1104 0.0908 0.0908 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3333 0.5774 0.1954 ( 9489 PWs) bands (ev): -70.1561 -70.1561 -70.1561 -70.1561 -39.9299 -39.9299 -39.9297 -39.9297 -38.7681 -38.7681 -38.7655 -38.7655 -38.6764 -38.6764 -38.6741 -38.6741 -26.8359 -26.8359 -9.7290 -9.7290 -8.6440 -8.6440 -8.5661 -8.5661 -1.9830 -1.9830 -1.9759 -1.9759 4.5361 4.5361 4.5874 4.5874 5.0646 5.0646 5.5451 5.5451 5.9959 5.9959 6.0204 6.0204 7.2172 7.2172 7.3638 7.3638 7.7753 7.7753 7.7859 7.7859 8.0265 8.0265 8.2871 8.2871 8.3178 8.3178 8.8612 8.8612 8.8824 8.8824 9.5573 9.5573 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 0.1098 0.1098 0.0127 0.0127 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.1925-0.1954 ( 9531 PWs) bands (ev): -70.1592 -70.1592 -70.1572 -70.1572 -39.9380 -39.9380 -39.9208 -39.9208 -38.7750 -38.7750 -38.7560 -38.7560 -38.6854 -38.6854 -38.6667 -38.6667 -26.8452 -26.8452 -9.6808 -9.6808 -8.5772 -8.5772 -8.5196 -8.5196 -2.5988 -2.5988 -2.1844 -2.1844 4.4776 4.4776 5.0537 5.0537 5.7634 5.7634 5.8119 5.8119 5.9461 5.9461 6.0506 6.0506 7.4475 7.4475 7.4854 7.4854 8.0405 8.0405 8.2131 8.2131 8.2869 8.2869 8.9229 8.9229 9.2227 9.2227 9.3855 9.3855 9.5993 9.5993 10.0377 10.0377 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 0.9662 0.9662 0.1114 0.1114 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.3849-0.1954 ( 9518 PWs) bands (ev): -70.1591 -70.1591 -70.1561 -70.1561 -39.9352 -39.9352 -39.9240 -39.9240 -38.7725 -38.7725 -38.7601 -38.7601 -38.6817 -38.6817 -38.6695 -38.6695 -26.8399 -26.8399 -9.7093 -9.7093 -8.6214 -8.6214 -8.5393 -8.5393 -2.3504 -2.3504 -1.9635 -1.9635 4.2412 4.2412 4.5030 4.5030 5.8102 5.8102 5.9025 5.9025 6.0201 6.0201 6.0837 6.0837 7.3575 7.3575 7.4123 7.4123 7.8565 7.8565 8.0401 8.0401 8.1150 8.1150 8.4320 8.4320 8.6828 8.6828 8.8164 8.8164 9.6223 9.6223 9.9712 9.9712 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 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.1667 0.4811-0.1954 ( 9497 PWs) bands (ev): -70.1571 -70.1571 -70.1559 -70.1559 -39.9330 -39.9330 -39.9265 -39.9265 -38.7703 -38.7703 -38.7630 -38.7630 -38.6789 -38.6789 -38.6717 -38.6717 -26.8372 -26.8372 -9.7232 -9.7232 -8.6407 -8.6407 -8.5518 -8.5518 -2.1689 -2.1689 -1.9072 -1.9072 4.2670 4.2670 4.4305 4.4305 5.6444 5.6444 5.7749 5.7749 5.9657 5.9657 6.0535 6.0535 7.2938 7.2938 7.4673 7.4673 7.6095 7.6095 7.8952 7.8952 8.1235 8.1235 8.2434 8.2434 8.4558 8.4558 8.6850 8.6850 9.2282 9.2282 9.6969 9.6969 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 0.7544 0.7544 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 the Fermi energy is 8.2587 ev ! total energy = -520.81673750 Ry Harris-Foulkes estimate = -520.81673750 Ry estimated scf accuracy < 1.9E-09 Ry The total energy is the sum of the following terms: one-electron contribution = -344.15556357 Ry hartree contribution = 185.63601176 Ry xc contribution = -86.49678141 Ry ewald contribution = -275.79967176 Ry smearing contrib. (-TS) = -0.00073252 Ry convergence has been achieved in 10 iterations Writing output data file SrxMnAsx2.save init_run : 1.34s CPU 1.41s WALL ( 1 calls) electrons : 34.30s CPU 34.82s WALL ( 1 calls) Called by init_run: wfcinit : 1.07s CPU 1.11s WALL ( 1 calls) potinit : 0.03s CPU 0.03s WALL ( 1 calls) Called by electrons: c_bands : 29.04s CPU 29.48s WALL ( 10 calls) sum_band : 4.60s CPU 4.65s WALL ( 10 calls) v_of_rho : 0.05s CPU 0.05s WALL ( 11 calls) v_h : 0.01s CPU 0.00s WALL ( 11 calls) v_xc : 0.04s CPU 0.05s WALL ( 11 calls) newd : 0.58s CPU 0.60s WALL ( 11 calls) mix_rho : 0.03s CPU 0.04s WALL ( 10 calls) Called by c_bands: init_us_2 : 0.13s CPU 0.15s WALL ( 357 calls) cegterg : 27.49s CPU 27.83s WALL ( 170 calls) Called by sum_band: sum_band:bec : 0.24s CPU 0.24s WALL ( 170 calls) addusdens : 0.33s CPU 0.34s WALL ( 10 calls) Called by *egterg: h_psi : 20.06s CPU 20.27s WALL ( 673 calls) s_psi : 0.64s CPU 0.71s WALL ( 673 calls) g_psi : 0.05s CPU 0.06s WALL ( 486 calls) cdiaghg : 4.10s CPU 4.20s WALL ( 656 calls) cegterg:over : 1.06s CPU 1.06s WALL ( 486 calls) cegterg:upda : 1.04s CPU 0.98s WALL ( 486 calls) cegterg:last : 0.32s CPU 0.33s WALL ( 170 calls) cdiaghg:chol : 0.27s CPU 0.25s WALL ( 656 calls) cdiaghg:inve : 0.14s CPU 0.15s WALL ( 656 calls) cdiaghg:para : 0.26s CPU 0.26s WALL ( 1312 calls) Called by h_psi: h_psi:vloc : 17.84s CPU 18.11s WALL ( 673 calls) h_psi:vnl : 2.12s CPU 2.08s WALL ( 673 calls) add_vuspsi : 1.04s CPU 1.03s WALL ( 673 calls) General routines calbec : 1.44s CPU 1.41s WALL ( 843 calls) fft : 0.06s CPU 0.07s WALL ( 205 calls) fftw : 20.00s CPU 20.32s WALL ( 130572 calls) Parallel routines fft_scatter : 6.90s CPU 6.85s WALL ( 130777 calls) PWSCF : 38.50s CPU 40.17s WALL This run was terminated on: 20:28:36 24Dec2016 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=