Program PWSCF v.5.4.0 starts on 21Mar2017 at 23:41:24 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 & OpenMP), running on 144 processor cores Number of MPI processes: 72 Threads/MPI process: 2 R & G space division: proc/nbgrp/npool/nimage = 72 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 I.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per band group will be used scalapack distributed-memory algorithm (size of sub-group: 6* 6 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 75 62 16 2583 1912 270 Max 76 63 17 2586 1935 275 Sum 5457 4485 1209 186099 138627 19601 bravais-lattice index = 14 lattice parameter (alat) = 17.4989 a.u. unit-cell volume = 3286.7511 (a.u.)^3 number of atoms/cell = 16 number of atomic types = 3 number of electrons = 108.00 number of Kohn-Sham states= 130 kinetic-energy cutoff = 46.0000 Ry charge density cutoff = 224.0000 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)= 17.498863 celldm(2)= 1.000000 celldm(3)= 0.613391 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 0.613391 ) 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 1.630282 ) PseudoPot. # 1 for Cl read from file: /users/gautes/Pseudo/Cl.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 689bc0dc0caaad1d61892f37b0005eca Pseudo is Ultrasoft + core correction, Zval = 7.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1157 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 I read from file: /users/gautes/Pseudo/I.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 7c65668ffc3f6431347fa26e98076fd5 Pseudo is Ultrasoft + core correction, Zval = 7.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1247 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 P read from file: /users/gautes/Pseudo/P.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 667ec27f6326587e4f0d1734a2230026 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 1147 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 Cl 7.00 35.45300 Cl( 1.00) I 7.00 126.90450 I( 1.00) P 5.00 30.97380 P( 1.00) 8 Sym. Ops. (no inversion) found ( 4 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 ) ( 0 -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 = 3 180 deg rotation - cart. axis [0,1,0] cryst. s( 3) = ( -1 0 0 ) f =( -0.5000000 ) ( 0 1 0 ) ( -0.5000000 ) ( 0 0 -1 ) ( 0.0000000 ) cart. s( 3) = ( -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 = 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 inv. 180 deg rotation - cart. axis [1,1,0] cryst. s( 5) = ( 0 -1 0 ) f =( -0.5000000 ) ( -1 0 0 ) ( -0.5000000 ) ( 0 0 1 ) ( 0.0000000 ) cart. s( 5) = ( -0.0000000 -1.0000000 0.0000000 ) f =( -0.5000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( -0.5000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 ) isym = 6 inv. 180 deg rotation - cart. axis [1,-1,0] cryst. s( 6) = ( 0 1 0 ) f =( -0.5000000 ) ( 1 0 0 ) ( -0.5000000 ) ( 0 0 1 ) ( 0.0000000 ) cart. s( 6) = ( 0.0000000 1.0000000 0.0000000 ) f =( -0.5000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( -0.5000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 ) isym = 7 inv. 90 deg rotation - cart. axis [0,0,-1] cryst. s( 7) = ( 0 1 0 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s( 7) = ( 0.0000000 -1.0000000 -0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 8 inv. 90 deg rotation - cart. axis [0,0,1] cryst. s( 8) = ( 0 -1 0 ) ( 1 0 0 ) ( 0 0 -1 ) cart. s( 8) = ( -0.0000000 1.0000000 -0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) double point group D_2d (-42m) there are 7 classes and 2 irreducible representations the character table: E -E 2S4 -2S4 C2 2C2' 2s_d -C2 -2C2' -2s_d G_6 2.00 -2.00 1.41 -1.41 0.00 0.00 0.00 G_7 2.00 -2.00 -1.41 1.41 0.00 0.00 0.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E 2S4 7 8 inv. 90 deg rotation - cart. axis [0,0,-1] -2S4 -7 -8 inv. 90 deg rotation - cart. axis [0,0,-1] E C2 -C2 2 -2 180 deg rotation - cart. axis [0,0,1] 2C2' -2C2' 3 -3 4 -4 180 deg rotation - cart. axis [0,1,0] 2s_d -2s_d 5 -5 6 -6 inv. 180 deg rotation - cart. axis [1,1,0] Cartesian axes number of k points= 9 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0222222 k( 2) = ( 0.0000000 0.0000000 0.3260563), wk = 0.0444444 k( 3) = ( 0.0000000 0.0000000 0.6521127), wk = 0.0444444 k( 4) = ( 0.0000000 0.3333333 -0.0000000), wk = 0.0888889 k( 5) = ( 0.0000000 0.3333333 0.3260563), wk = 0.1777778 k( 6) = ( 0.0000000 0.3333333 0.6521127), wk = 0.1777778 k( 7) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0888889 k( 8) = ( 0.3333333 0.3333333 0.3260563), wk = 0.1777778 k( 9) = ( 0.3333333 0.3333333 0.6521127), wk = 0.1777778 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0222222 k( 2) = ( 0.0000000 0.0000000 0.2000000), wk = 0.0444444 k( 3) = ( 0.0000000 0.0000000 0.4000000), wk = 0.0444444 k( 4) = ( 0.0000000 0.3333333 0.0000000), wk = 0.0888889 k( 5) = ( 0.0000000 0.3333333 0.2000000), wk = 0.1777778 k( 6) = ( 0.0000000 0.3333333 0.4000000), wk = 0.1777778 k( 7) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0888889 k( 8) = ( 0.3333333 0.3333333 0.2000000), wk = 0.1777778 k( 9) = ( 0.3333333 0.3333333 0.4000000), wk = 0.1777778 Dense grid: 186099 G-vectors FFT dimensions: ( 90, 90, 54) Smooth grid: 138627 G-vectors FFT dimensions: ( 75, 75, 48) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.97 Mb ( 490, 130) NL pseudopotentials 2.03 Mb ( 245, 544) Each V/rho on FFT grid 0.12 Mb ( 8100) Each G-vector array 0.02 Mb ( 2586) G-vector shells 0.01 Mb ( 1179) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 3.89 Mb ( 490, 520) Each subspace H/S matrix 0.11 Mb ( 86, 86) Each matrix 2.16 Mb ( 544, 2, 130) Arrays for rho mixing 0.99 Mb ( 8100, 8) Check: negative/imaginary core charge= -0.000003 0.000000 Initial potential from superposition of free atoms starting charge 107.99944, renormalised to 108.00000 Starting wfc are 128 randomized atomic wfcs + 2 random wfc total cpu time spent up to now is 8.3 secs per-process dynamical memory: 10.9 Mb Self-consistent Calculation iteration # 1 ecut= 46.00 Ry beta=0.70 Davidson diagonalization with overlap ethr = 1.00E-02, avg # of iterations = 5.4 Threshold (ethr) on eigenvalues was too large: Diagonalizing with lowered threshold Davidson diagonalization with overlap ethr = 6.42E-04, avg # of iterations = 1.1 total cpu time spent up to now is 37.0 secs total energy = -510.38471306 Ry Harris-Foulkes estimate = -510.85142198 Ry estimated scf accuracy < 0.68596497 Ry iteration # 2 ecut= 46.00 Ry beta=0.70 Davidson diagonalization with overlap ethr = 6.35E-04, avg # of iterations = 3.6 total cpu time spent up to now is 54.4 secs total energy = -510.40586535 Ry Harris-Foulkes estimate = -510.78767391 Ry estimated scf accuracy < 0.76036246 Ry iteration # 3 ecut= 46.00 Ry beta=0.70 Davidson diagonalization with overlap ethr = 6.35E-04, avg # of iterations = 2.4 total cpu time spent up to now is 70.5 secs total energy = -510.60926997 Ry Harris-Foulkes estimate = -510.63937334 Ry estimated scf accuracy < 0.07057804 Ry iteration # 4 ecut= 46.00 Ry beta=0.70 Davidson diagonalization with overlap ethr = 6.54E-05, avg # of iterations = 2.9 total cpu time spent up to now is 85.3 secs total energy = -510.62061827 Ry Harris-Foulkes estimate = -510.62342080 Ry estimated scf accuracy < 0.00548368 Ry iteration # 5 ecut= 46.00 Ry beta=0.70 Davidson diagonalization with overlap ethr = 5.08E-06, avg # of iterations = 5.9 total cpu time spent up to now is 101.5 secs total energy = -510.62193458 Ry Harris-Foulkes estimate = -510.62199101 Ry estimated scf accuracy < 0.00018703 Ry iteration # 6 ecut= 46.00 Ry beta=0.70 Davidson diagonalization with overlap ethr = 1.73E-07, avg # of iterations = 2.8 total cpu time spent up to now is 116.7 secs total energy = -510.62198066 Ry Harris-Foulkes estimate = -510.62198687 Ry estimated scf accuracy < 0.00001894 Ry iteration # 7 ecut= 46.00 Ry beta=0.70 Davidson diagonalization with overlap ethr = 1.75E-08, avg # of iterations = 2.0 total cpu time spent up to now is 129.6 secs total energy = -510.62198337 Ry Harris-Foulkes estimate = -510.62198428 Ry estimated scf accuracy < 0.00000212 Ry iteration # 8 ecut= 46.00 Ry beta=0.70 Davidson diagonalization with overlap ethr = 1.96E-09, avg # of iterations = 2.0 total cpu time spent up to now is 143.5 secs total energy = -510.62198392 Ry Harris-Foulkes estimate = -510.62198393 Ry estimated scf accuracy < 0.00000006 Ry iteration # 9 ecut= 46.00 Ry beta=0.70 Davidson diagonalization with overlap ethr = 5.95E-11, avg # of iterations = 3.0 total cpu time spent up to now is 159.7 secs End of self-consistent calculation k = 0.0000 0.0000 0.0000 ( 17371 PWs) bands (ev): -16.9413 -16.9413 -16.9079 -16.9079 -14.7958 -14.7958 -14.7931 -14.7931 -14.7765 -14.7765 -14.7100 -14.7100 -14.7074 -14.7074 -14.7012 -14.7012 -12.7235 -12.7235 -12.7015 -12.7015 -12.1161 -12.1161 -12.1160 -12.1160 -8.9354 -8.9354 -8.7060 -8.7060 -8.5537 -8.5537 -8.4610 -8.4610 -5.4487 -5.4487 -5.3864 -5.3864 -5.3797 -5.3797 -5.1291 -5.1291 -5.1291 -5.1291 -5.1211 -5.1211 -2.8640 -2.8640 -2.8260 -2.8260 -2.8024 -2.8024 -2.5142 -2.5142 -2.5057 -2.5057 -2.3199 -2.3199 -2.2809 -2.2809 -2.2360 -2.2360 -2.2245 -2.2245 -2.1474 -2.1474 -2.0924 -2.0924 -1.8808 -1.8808 -1.5031 -1.5031 -1.4574 -1.4574 -1.2322 -1.2322 -1.1624 -1.1624 -1.1191 -1.1191 -1.0282 -1.0282 -0.6017 -0.6017 -0.3833 -0.3833 -0.2368 -0.2368 -0.1197 -0.1197 0.1262 0.1262 0.2207 0.2207 0.3334 0.3334 0.3424 0.3424 0.7465 0.7465 0.9369 0.9369 1.9226 1.9226 2.0042 2.0042 2.4414 2.4414 2.4729 2.4729 3.6109 3.6109 3.9252 3.9252 4.7996 4.7996 5.3228 5.3228 5.3314 5.3314 5.3890 5.3890 5.4006 5.4006 5.7402 5.7402 6.3799 6.3799 6.5004 6.5004 7.2788 7.2789 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 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.0000 0.0000 k = 0.0000 0.0000 0.3261 ( 17303 PWs) bands (ev): -16.9325 -16.9325 -16.9005 -16.9005 -14.7931 -14.7931 -14.7915 -14.7915 -14.7891 -14.7891 -14.7168 -14.7168 -14.7090 -14.7090 -14.7064 -14.7064 -12.7231 -12.7231 -12.7009 -12.7009 -12.1242 -12.1242 -12.1240 -12.1240 -8.9371 -8.9371 -8.6909 -8.6909 -8.5347 -8.5347 -8.4697 -8.4697 -5.4787 -5.4787 -5.3941 -5.3941 -5.3867 -5.3867 -5.1653 -5.1653 -5.1579 -5.1579 -5.1185 -5.1185 -2.8319 -2.8319 -2.7930 -2.7930 -2.7527 -2.7527 -2.5087 -2.5087 -2.4854 -2.4854 -2.2998 -2.2998 -2.2928 -2.2928 -2.2572 -2.2572 -2.2139 -2.2139 -2.1278 -2.1278 -2.0943 -2.0943 -1.9832 -1.9832 -1.4068 -1.4068 -1.3590 -1.3590 -1.2746 -1.2746 -1.1387 -1.1387 -1.0807 -1.0807 -1.0592 -1.0592 -0.6045 -0.6045 -0.4551 -0.4551 -0.2578 -0.2578 -0.2022 -0.2022 0.1909 0.1909 0.2692 0.2692 0.3503 0.3503 0.3562 0.3562 0.7817 0.7817 0.9279 0.9279 1.9297 1.9297 1.9979 1.9979 2.4206 2.4206 2.4732 2.4732 3.5804 3.5804 3.9689 3.9689 4.8178 4.8178 5.2770 5.2770 5.2833 5.2833 5.3471 5.3471 5.3592 5.3592 5.6869 5.6869 6.3986 6.3986 6.5031 6.5031 7.5123 7.5123 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 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.0000 0.0000 k = 0.0000 0.0000 0.6521 ( 17315 PWs) bands (ev): -16.9180 -16.9180 -16.8882 -16.8882 -14.8196 -14.8196 -14.7852 -14.7852 -14.7825 -14.7825 -14.7421 -14.7421 -14.7074 -14.7074 -14.7047 -14.7047 -12.7168 -12.7168 -12.7054 -12.7054 -12.1373 -12.1373 -12.1371 -12.1371 -8.9388 -8.9388 -8.6663 -8.6663 -8.5046 -8.5046 -8.4851 -8.4851 -5.5264 -5.5264 -5.4060 -5.4060 -5.3975 -5.3975 -5.2207 -5.2207 -5.2129 -5.2129 -5.1028 -5.1028 -2.7733 -2.7733 -2.7567 -2.7567 -2.5350 -2.5350 -2.5279 -2.5279 -2.4498 -2.4498 -2.3827 -2.3827 -2.3398 -2.3398 -2.2503 -2.2503 -2.2383 -2.2383 -2.1309 -2.1309 -2.0937 -2.0937 -2.0649 -2.0649 -1.3648 -1.3648 -1.2201 -1.2201 -1.1860 -1.1860 -1.1489 -1.1489 -1.0627 -1.0627 -1.0276 -1.0276 -0.6451 -0.6451 -0.5453 -0.5453 -0.2866 -0.2866 -0.2627 -0.2627 0.1586 0.1586 0.3253 0.3253 0.3464 0.3464 0.4935 0.4935 0.8241 0.8241 0.9101 0.9101 1.9415 1.9415 1.9833 1.9833 2.4263 2.4263 2.4618 2.4618 3.5270 3.5270 4.0308 4.0308 4.8172 4.8172 5.1794 5.1794 5.1851 5.1851 5.3037 5.3037 5.3117 5.3117 5.6095 5.6095 6.4351 6.4351 6.5088 6.5088 8.1232 8.1232 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 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.0000 0.0000 k = 0.0000 0.3333-0.0000 ( 17302 PWs) bands (ev): -16.9330 -16.9330 -16.9164 -16.9163 -14.7913 -14.7892 -14.7824 -14.7801 -14.7736 -14.7735 -14.7311 -14.7308 -14.7079 -14.7055 -14.7040 -14.7020 -12.7116 -12.7116 -12.7006 -12.7005 -12.1230 -12.1230 -12.1229 -12.1229 -8.8778 -8.8775 -8.7615 -8.7611 -8.5326 -8.5325 -8.4844 -8.4843 -5.4354 -5.4309 -5.4024 -5.3970 -5.3171 -5.3156 -5.1891 -5.1874 -5.1363 -5.1329 -5.1290 -5.1265 -2.8751 -2.8682 -2.8527 -2.8441 -2.7662 -2.7627 -2.6322 -2.6318 -2.4414 -2.4395 -2.3093 -2.3083 -2.2291 -2.2162 -2.2109 -2.1974 -2.1611 -2.1503 -2.1151 -2.1129 -2.0908 -2.0804 -1.9925 -1.9748 -1.4474 -1.4461 -1.4009 -1.3991 -1.3005 -1.2773 -1.2455 -1.2313 -1.1457 -1.1437 -1.0716 -1.0613 -0.5531 -0.5295 -0.4657 -0.4505 -0.3107 -0.2845 -0.2107 -0.2014 0.2009 0.2180 0.2467 0.2467 0.3239 0.3331 0.3397 0.3417 0.8145 0.8186 0.9022 0.9051 1.9544 1.9924 1.9936 2.0349 2.4649 2.4784 2.4983 2.5127 3.6841 3.6923 3.8424 3.8505 5.0067 5.0088 5.2855 5.2895 5.3246 5.3249 5.3535 5.3540 5.3802 5.3802 5.5372 5.5382 6.2763 6.2972 6.3425 6.3633 7.6814 7.6888 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 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.0000 0.0000 k = 0.0000 0.3333 0.3261 ( 17318 PWs) bands (ev): -16.9246 -16.9246 -16.9086 -16.9086 -14.7931 -14.7920 -14.7910 -14.7896 -14.7703 -14.7700 -14.7291 -14.7288 -14.7159 -14.7137 -14.7112 -14.7092 -12.7140 -12.7140 -12.7029 -12.7029 -12.1281 -12.1280 -12.1280 -12.1279 -8.8745 -8.8742 -8.7496 -8.7491 -8.5225 -8.5225 -8.4886 -8.4885 -5.4609 -5.4564 -5.4162 -5.4107 -5.3295 -5.3275 -5.2155 -5.2132 -5.1542 -5.1477 -5.1343 -5.1271 -2.8531 -2.8433 -2.8369 -2.8213 -2.7211 -2.7161 -2.6217 -2.6134 -2.4279 -2.4201 -2.3292 -2.3245 -2.2502 -2.2234 -2.2012 -2.1983 -2.1735 -2.1584 -2.1280 -2.1012 -2.0900 -2.0715 -2.0340 -2.0199 -1.3862 -1.3677 -1.3282 -1.3162 -1.2755 -1.2437 -1.2323 -1.1986 -1.1572 -1.1492 -1.1047 -1.0927 -0.5626 -0.5258 -0.4938 -0.4567 -0.3083 -0.2828 -0.2251 -0.1970 0.1958 0.2035 0.2460 0.2556 0.3299 0.3343 0.3871 0.3954 0.8263 0.8277 0.8952 0.8971 1.9496 1.9641 2.0083 2.0275 2.4461 2.4477 2.4961 2.4999 3.6646 3.6726 3.8594 3.8669 5.0052 5.0075 5.2451 5.2487 5.2957 5.2995 5.3198 5.3314 5.3505 5.3575 5.5001 5.5011 6.3225 6.3452 6.3895 6.4116 7.8800 7.8890 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 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.0000 0.0000 k = 0.0000 0.3333 0.6521 ( 17305 PWs) bands (ev): -16.9107 -16.9106 -16.8958 -16.8958 -14.8136 -14.8119 -14.7973 -14.7947 -14.7646 -14.7644 -14.7311 -14.7286 -14.7259 -14.7257 -14.7136 -14.7121 -12.7150 -12.7150 -12.7094 -12.7094 -12.1363 -12.1362 -12.1362 -12.1361 -8.8691 -8.8689 -8.7306 -8.7302 -8.5068 -8.5067 -8.4953 -8.4952 -5.4984 -5.4937 -5.4352 -5.4297 -5.3484 -5.3463 -5.2561 -5.2541 -5.1902 -5.1838 -5.1353 -5.1279 -2.8156 -2.8140 -2.8052 -2.7901 -2.5599 -2.5485 -2.5337 -2.5302 -2.4019 -2.3950 -2.3839 -2.3504 -2.3095 -2.2910 -2.2730 -2.2470 -2.2268 -2.2092 -2.1653 -2.1235 -2.1057 -2.1003 -2.0939 -2.0786 -1.3417 -1.3088 -1.2428 -1.2315 -1.1870 -1.1615 -1.1496 -1.1318 -1.1275 -1.0903 -1.0810 -1.0717 -0.5789 -0.5599 -0.5301 -0.4834 -0.3100 -0.2860 -0.2692 -0.2211 0.2196 0.2227 0.2629 0.2835 0.3069 0.3319 0.4413 0.4604 0.8400 0.8429 0.8821 0.8832 1.9272 1.9415 2.0055 2.0136 2.4173 2.4328 2.4900 2.4943 3.6369 3.6446 3.8895 3.8956 4.9729 4.9764 5.1762 5.1812 5.2277 5.2329 5.2853 5.2906 5.3185 5.3232 5.4480 5.4505 6.3797 6.4149 6.4346 6.4672 8.4194 8.4262 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 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.0000 0.0000 k = 0.3333 0.3333-0.0000 ( 17343 PWs) bands (ev): -16.9288 -16.9288 -16.9205 -16.9204 -14.7967 -14.7966 -14.7908 -14.7885 -14.7550 -14.7525 -14.7348 -14.7325 -14.7082 -14.7082 -14.7064 -14.7038 -12.7026 -12.7026 -12.6970 -12.6970 -12.1301 -12.1301 -12.1301 -12.1301 -8.8421 -8.8419 -8.7816 -8.7813 -8.5277 -8.5277 -8.5012 -8.5012 -5.4177 -5.4125 -5.3875 -5.3872 -5.3165 -5.3089 -5.2450 -5.2401 -5.1313 -5.1232 -5.1207 -5.1204 -2.8865 -2.8838 -2.8793 -2.8730 -2.7258 -2.7207 -2.6553 -2.6517 -2.3917 -2.3880 -2.2781 -2.2744 -2.2561 -2.2530 -2.2207 -2.1851 -2.1459 -2.1224 -2.1058 -2.0884 -2.0680 -2.0636 -1.9957 -1.9898 -1.5627 -1.5560 -1.4838 -1.4655 -1.2338 -1.2296 -1.1510 -1.1446 -1.1423 -1.1262 -1.0931 -1.0687 -0.5826 -0.5495 -0.5440 -0.5101 -0.3414 -0.3091 -0.2661 -0.2391 0.2443 0.2693 0.2716 0.2808 0.3273 0.3508 0.3550 0.3664 0.8477 0.8521 0.8915 0.8915 1.9935 2.0031 2.0123 2.0441 2.4965 2.4989 2.5161 2.5333 3.6901 3.6952 3.7714 3.7780 5.1226 5.1262 5.1807 5.1819 5.2459 5.2483 5.3667 5.3702 5.4683 5.4685 5.5049 5.5052 6.2698 6.2818 6.3547 6.3599 7.7889 7.7907 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 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.0000 0.0000 k = 0.3333 0.3333 0.3261 ( 17328 PWs) bands (ev): -16.9205 -16.9205 -16.9125 -16.9125 -14.7934 -14.7923 -14.7921 -14.7906 -14.7630 -14.7607 -14.7447 -14.7421 -14.7123 -14.7099 -14.7072 -14.7072 -12.7077 -12.7077 -12.7022 -12.7022 -12.1321 -12.1321 -12.1321 -12.1321 -8.8358 -8.8356 -8.7708 -8.7705 -8.5235 -8.5235 -8.5044 -8.5044 -5.4341 -5.4290 -5.3912 -5.3907 -5.3310 -5.3229 -5.2514 -5.2469 -5.1556 -5.1552 -5.1464 -5.1386 -2.8769 -2.8744 -2.8654 -2.8597 -2.6754 -2.6676 -2.6147 -2.6116 -2.4022 -2.3966 -2.3448 -2.3437 -2.2671 -2.2665 -2.2283 -2.2171 -2.1224 -2.1143 -2.1018 -2.0983 -2.0609 -2.0587 -2.0264 -2.0252 -1.4648 -1.4537 -1.4116 -1.3953 -1.2067 -1.2050 -1.1704 -1.1694 -1.1313 -1.1142 -1.0813 -1.0614 -0.5621 -0.5415 -0.4972 -0.4921 -0.3301 -0.3030 -0.2437 -0.2335 0.2229 0.2237 0.2636 0.2683 0.3340 0.3386 0.3862 0.3915 0.8482 0.8498 0.8827 0.8831 1.9798 1.9831 2.0122 2.0346 2.4638 2.4756 2.4995 2.5154 3.6791 3.6849 3.7783 3.7838 5.1158 5.1199 5.1829 5.1860 5.2529 5.2547 5.3380 5.3412 5.4267 5.4273 5.4543 5.4559 6.3100 6.3309 6.3767 6.3841 8.0292 8.0296 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 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.0000 0.0000 k = 0.3333 0.3333 0.6521 ( 17296 PWs) bands (ev): -16.9070 -16.9069 -16.8995 -16.8995 -14.8054 -14.8032 -14.7854 -14.7848 -14.7808 -14.7796 -14.7523 -14.7500 -14.7162 -14.7144 -14.7056 -14.7056 -12.7148 -12.7148 -12.7120 -12.7120 -12.1353 -12.1352 -12.1352 -12.1351 -8.8261 -8.8260 -8.7538 -8.7535 -8.5174 -8.5173 -8.5091 -8.5089 -5.4568 -5.4519 -5.3964 -5.3956 -5.3540 -5.3452 -5.2644 -5.2605 -5.2090 -5.2085 -5.1710 -5.1623 -2.8571 -2.8505 -2.8468 -2.8362 -2.5451 -2.5264 -2.5091 -2.4903 -2.4500 -2.4473 -2.4091 -2.3993 -2.2982 -2.2938 -2.2829 -2.2797 -2.1752 -2.1700 -2.1690 -2.1596 -2.0748 -2.0674 -2.0422 -2.0387 -1.3283 -1.2859 -1.2627 -1.2560 -1.2297 -1.2086 -1.1889 -1.1835 -1.0550 -1.0545 -1.0139 -1.0106 -0.5460 -0.5147 -0.5030 -0.4451 -0.3030 -0.2764 -0.2601 -0.2079 0.1894 0.2075 0.2164 0.2244 0.3375 0.3417 0.4149 0.4320 0.8488 0.8510 0.8703 0.8704 1.9390 1.9602 1.9970 2.0111 2.4231 2.4471 2.4777 2.4973 3.6721 3.6789 3.7992 3.8031 5.0876 5.0909 5.1850 5.1910 5.2623 5.2645 5.2745 5.2776 5.3438 5.3467 5.3929 5.3988 6.3591 6.3875 6.4060 6.4164 8.5124 8.5143 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 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.0000 0.0000 the Fermi energy is 2.9612 ev ! total energy = -510.62198394 Ry Harris-Foulkes estimate = -510.62198395 Ry estimated scf accuracy < 8.8E-09 Ry The total energy is the sum of the following terms: one-electron contribution = -137.24220914 Ry hartree contribution = 108.29387560 Ry xc contribution = -170.34423902 Ry ewald contribution = -311.32941138 Ry smearing contrib. (-TS) = -0.00000000 Ry convergence has been achieved in 9 iterations Writing output data file PICl6.save init_run : 8.34s CPU 5.04s WALL ( 1 calls) electrons : 203.79s CPU 151.41s WALL ( 1 calls) Called by init_run: wfcinit : 6.21s CPU 3.79s WALL ( 1 calls) potinit : 0.29s CPU 0.16s WALL ( 1 calls) Called by electrons: c_bands : 152.96s CPU 124.55s WALL ( 10 calls) sum_band : 42.55s CPU 22.30s WALL ( 10 calls) v_of_rho : 0.43s CPU 0.23s WALL ( 10 calls) v_h : 0.05s CPU 0.02s WALL ( 10 calls) v_xc : 0.38s CPU 0.20s WALL ( 10 calls) newd : 7.77s CPU 4.22s WALL ( 10 calls) mix_rho : 0.28s CPU 0.16s WALL ( 10 calls) Called by c_bands: init_us_2 : 0.45s CPU 0.25s WALL ( 189 calls) cegterg : 145.70s CPU 120.81s WALL ( 90 calls) Called by sum_band: sum_band:bec : 5.60s CPU 2.84s WALL ( 90 calls) addusdens : 2.13s CPU 1.27s WALL ( 10 calls) Called by *egterg: h_psi : 109.94s CPU 83.32s WALL ( 379 calls) s_psi : 6.65s CPU 6.57s WALL ( 379 calls) g_psi : 0.04s CPU 0.06s WALL ( 280 calls) cdiaghg : 25.19s CPU 25.28s WALL ( 361 calls) cegterg:over : 3.61s CPU 3.57s WALL ( 280 calls) cegterg:upda : 2.20s CPU 2.17s WALL ( 280 calls) cegterg:last : 0.88s CPU 0.90s WALL ( 90 calls) cdiaghg:chol : 0.81s CPU 0.85s WALL ( 361 calls) cdiaghg:inve : 0.60s CPU 0.61s WALL ( 361 calls) cdiaghg:para : 2.08s CPU 2.15s WALL ( 722 calls) Called by h_psi: h_psi:vloc : 97.71s CPU 72.18s WALL ( 379 calls) h_psi:vnl : 12.09s CPU 11.06s WALL ( 379 calls) add_vuspsi : 5.69s CPU 5.39s WALL ( 379 calls) General routines calbec : 11.27s CPU 8.17s WALL ( 469 calls) fft : 1.33s CPU 0.70s WALL ( 304 calls) ffts : 0.33s CPU 0.17s WALL ( 80 calls) fftw : 124.29s CPU 85.66s WALL ( 148848 calls) interpolate : 0.67s CPU 0.35s WALL ( 80 calls) Parallel routines fft_scatter : 99.27s CPU 71.41s WALL ( 149232 calls) PWSCF : 3m42.68s CPU 2m48.26s WALL This run was terminated on: 23:44:13 21Mar2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=