Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 17:26:45 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 44 44 12 1173 1173 177 Max 46 46 13 1175 1175 180 Sum 1615 1615 451 42255 42255 6423 bravais-lattice index = 14 lattice parameter (alat) = 8.5199 a.u. unit-cell volume = 437.3020 (a.u.)^3 number of atoms/cell = 2 number of atomic types = 2 number of electrons = 10.00 number of Kohn-Sham states= 18 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)= 8.519854 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= 0.500000 celldm(5)= 0.500000 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) = ( 0.500000 0.288675 0.816497 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.577350 -0.408248 ) b(2) = ( 0.000000 1.154701 -0.408248 ) b(3) = ( 0.000000 0.000000 1.224745 ) PseudoPot. # 1 for H read from file: /users/gautes/Pseudo/H.rel-pbe-rrkjus_psl.1.0.0.UPF MD5 check sum: 34277445e838504cb8bc9abe3bdfc49d Pseudo is Ultrasoft, Zval = 1.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 929 points, 2 beta functions with: l(1) = 0 l(2) = 0 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Cs read from file: /users/gautes/Pseudo/Cs.rel-pbe-oncvpsp.UPF MD5 check sum: b26d75608c6aa7e713949ad9f7a49707 Pseudo is Norm-conserving, Zval = 9.0 Generated using ONCVPSP code by D. R. Hamann Using radial grid of 2414 points, 14 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 l(11) = 3 l(12) = 3 l(13) = 3 l(14) = 3 atomic species valence mass pseudopotential H 1.00 1.00790 H( 1.00) Cs 9.00 132.90550 Cs( 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 ) ( 1 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) = ( -1 1 0 ) ( -1 0 0 ) ( -1 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) = ( 0 -1 0 ) ( 1 -1 0 ) ( 0 -1 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) = ( 0 -1 0 ) ( -1 0 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) = ( -1 1 0 ) ( 0 1 0 ) ( 0 1 -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 ) ( -1 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) = ( 1 -1 0 ) ( 1 0 0 ) ( 1 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) = ( 0 1 0 ) ( -1 1 0 ) ( 0 1 -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) = ( 0 1 0 ) ( 1 0 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) = ( 1 -1 0 ) ( 0 -1 0 ) ( 0 -1 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= 44 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029155 k( 2) = ( 0.0000000 0.0000000 0.1749636), wk = 0.0058309 k( 3) = ( 0.0000000 0.0000000 0.3499271), wk = 0.0058309 k( 4) = ( 0.0000000 0.0000000 0.5248907), wk = 0.0058309 k( 5) = ( 0.0000000 0.1649572 -0.0583212), wk = 0.0174927 k( 6) = ( 0.0000000 0.1649572 0.1166424), wk = 0.0174927 k( 7) = ( 0.0000000 0.1649572 0.2916059), wk = 0.0174927 k( 8) = ( 0.0000000 0.1649572 0.4665695), wk = 0.0174927 k( 9) = ( 0.0000000 0.1649572 -0.5832118), wk = 0.0174927 k( 10) = ( 0.0000000 0.1649572 -0.4082483), wk = 0.0174927 k( 11) = ( 0.0000000 0.1649572 -0.2332847), wk = 0.0174927 k( 12) = ( 0.0000000 0.3299144 -0.1166424), wk = 0.0174927 k( 13) = ( 0.0000000 0.3299144 0.0583212), wk = 0.0174927 k( 14) = ( 0.0000000 0.3299144 0.2332847), wk = 0.0174927 k( 15) = ( 0.0000000 0.3299144 0.4082483), wk = 0.0174927 k( 16) = ( 0.0000000 0.3299144 -0.6415330), wk = 0.0174927 k( 17) = ( 0.0000000 0.3299144 -0.4665695), wk = 0.0174927 k( 18) = ( 0.0000000 0.3299144 -0.2916059), wk = 0.0174927 k( 19) = ( 0.0000000 0.4948717 -0.1749636), wk = 0.0174927 k( 20) = ( 0.0000000 0.4948717 -0.0000000), wk = 0.0174927 k( 21) = ( 0.0000000 0.4948717 0.1749636), wk = 0.0174927 k( 22) = ( 0.0000000 0.4948717 0.3499271), wk = 0.0174927 k( 23) = ( 0.0000000 0.4948717 -0.6998542), wk = 0.0174927 k( 24) = ( 0.0000000 0.4948717 -0.5248907), wk = 0.0174927 k( 25) = ( 0.0000000 0.4948717 -0.3499271), wk = 0.0174927 k( 26) = ( 0.1428571 0.2474358 -0.1749636), wk = 0.0349854 k( 27) = ( 0.1428571 0.2474358 -0.0000000), wk = 0.0174927 k( 28) = ( 0.1428571 0.2474358 0.3499271), wk = 0.0349854 k( 29) = ( 0.1428571 0.2474358 -0.6998542), wk = 0.0349854 k( 30) = ( 0.1428571 0.4123930 -0.2332847), wk = 0.0349854 k( 31) = ( 0.1428571 0.4123930 -0.0583212), wk = 0.0349854 k( 32) = ( 0.1428571 0.4123930 0.1166424), wk = 0.0349854 k( 33) = ( 0.1428571 0.4123930 0.2916059), wk = 0.0349854 k( 34) = ( 0.1428571 0.4123930 -0.7581754), wk = 0.0349854 k( 35) = ( 0.1428571 0.4123930 -0.5832118), wk = 0.0349854 k( 36) = ( 0.1428571 0.4123930 -0.4082483), wk = 0.0349854 k( 37) = ( 0.1428571 -0.5773503 0.1166424), wk = 0.0349854 k( 38) = ( 0.1428571 -0.5773503 0.4665695), wk = 0.0349854 k( 39) = ( 0.1428571 -0.5773503 0.6415330), wk = 0.0349854 k( 40) = ( 0.1428571 -0.5773503 -0.4082483), wk = 0.0174927 k( 41) = ( 0.2857143 -0.6598289 0.0583212), wk = 0.0349854 k( 42) = ( 0.2857143 -0.6598289 0.2332847), wk = 0.0349854 k( 43) = ( 0.2857143 -0.6598289 0.4082483), wk = 0.0174927 k( 44) = ( 0.2857143 -0.6598289 -0.2916059), wk = 0.0349854 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029155 k( 2) = ( 0.0000000 0.0000000 0.1428571), wk = 0.0058309 k( 3) = ( 0.0000000 0.0000000 0.2857143), wk = 0.0058309 k( 4) = ( 0.0000000 0.0000000 0.4285714), wk = 0.0058309 k( 5) = ( 0.0000000 0.1428571 0.0000000), wk = 0.0174927 k( 6) = ( 0.0000000 0.1428571 0.1428571), wk = 0.0174927 k( 7) = ( 0.0000000 0.1428571 0.2857143), wk = 0.0174927 k( 8) = ( 0.0000000 0.1428571 0.4285714), wk = 0.0174927 k( 9) = ( 0.0000000 0.1428571 -0.4285714), wk = 0.0174927 k( 10) = ( 0.0000000 0.1428571 -0.2857143), wk = 0.0174927 k( 11) = ( 0.0000000 0.1428571 -0.1428571), wk = 0.0174927 k( 12) = ( 0.0000000 0.2857143 0.0000000), wk = 0.0174927 k( 13) = ( 0.0000000 0.2857143 0.1428571), wk = 0.0174927 k( 14) = ( 0.0000000 0.2857143 0.2857143), wk = 0.0174927 k( 15) = ( 0.0000000 0.2857143 0.4285714), wk = 0.0174927 k( 16) = ( 0.0000000 0.2857143 -0.4285714), wk = 0.0174927 k( 17) = ( 0.0000000 0.2857143 -0.2857143), wk = 0.0174927 k( 18) = ( 0.0000000 0.2857143 -0.1428571), wk = 0.0174927 k( 19) = ( 0.0000000 0.4285714 -0.0000000), wk = 0.0174927 k( 20) = ( 0.0000000 0.4285714 0.1428571), wk = 0.0174927 k( 21) = ( 0.0000000 0.4285714 0.2857143), wk = 0.0174927 k( 22) = ( 0.0000000 0.4285714 0.4285714), wk = 0.0174927 k( 23) = ( 0.0000000 0.4285714 -0.4285714), wk = 0.0174927 k( 24) = ( 0.0000000 0.4285714 -0.2857143), wk = 0.0174927 k( 25) = ( 0.0000000 0.4285714 -0.1428571), wk = 0.0174927 k( 26) = ( 0.1428571 0.2857143 -0.0000000), wk = 0.0349854 k( 27) = ( 0.1428571 0.2857143 0.1428571), wk = 0.0174927 k( 28) = ( 0.1428571 0.2857143 0.4285714), wk = 0.0349854 k( 29) = ( 0.1428571 0.2857143 -0.4285714), wk = 0.0349854 k( 30) = ( 0.1428571 0.4285714 -0.0000000), wk = 0.0349854 k( 31) = ( 0.1428571 0.4285714 0.1428571), wk = 0.0349854 k( 32) = ( 0.1428571 0.4285714 0.2857143), wk = 0.0349854 k( 33) = ( 0.1428571 0.4285714 0.4285714), wk = 0.0349854 k( 34) = ( 0.1428571 0.4285714 -0.4285714), wk = 0.0349854 k( 35) = ( 0.1428571 0.4285714 -0.2857143), wk = 0.0349854 k( 36) = ( 0.1428571 0.4285714 -0.1428571), wk = 0.0349854 k( 37) = ( 0.1428571 -0.4285714 0.0000000), wk = 0.0349854 k( 38) = ( 0.1428571 -0.4285714 0.2857143), wk = 0.0349854 k( 39) = ( 0.1428571 -0.4285714 0.4285714), wk = 0.0349854 k( 40) = ( 0.1428571 -0.4285714 -0.4285714), wk = 0.0174927 k( 41) = ( 0.2857143 -0.4285714 0.0000000), wk = 0.0349854 k( 42) = ( 0.2857143 -0.4285714 0.1428571), wk = 0.0349854 k( 43) = ( 0.2857143 -0.4285714 0.2857143), wk = 0.0174927 k( 44) = ( 0.2857143 -0.4285714 -0.2857143), wk = 0.0349854 Dense grid: 42255 G-vectors FFT dimensions: ( 50, 50, 50) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.08 Mb ( 302, 18) NL pseudopotentials 0.15 Mb ( 151, 64) Each V/rho on FFT grid 0.08 Mb ( 5000) Each G-vector array 0.01 Mb ( 1174) G-vector shells 0.00 Mb ( 331) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.33 Mb ( 302, 72) Each subspace H/S matrix 0.00 Mb ( 18, 18) Each matrix 0.04 Mb ( 64, 2, 18) Arrays for rho mixing 0.61 Mb ( 5000, 8) Initial potential from superposition of free atoms starting charge 9.96180, renormalised to 10.00000 Starting wfc are 12 randomized atomic wfcs + 6 random wfc total cpu time spent up to now is 1.3 secs per-process dynamical memory: 39.4 Mb Self-consistent Calculation iteration # 1 ecut= 80.00 Ry beta=0.70 Davidson diagonalization with overlap ethr = 1.00E-02, avg # of iterations = 7.1 total cpu time spent up to now is 4.7 secs total energy = -40.54857204 Ry Harris-Foulkes estimate = -40.72712842 Ry estimated scf accuracy < 0.26433747 Ry iteration # 2 ecut= 80.00 Ry beta=0.70 Davidson diagonalization with overlap ethr = 2.64E-03, avg # of iterations = 2.0 total cpu time spent up to now is 6.7 secs total energy = -40.61701549 Ry Harris-Foulkes estimate = -40.62885800 Ry estimated scf accuracy < 0.02358334 Ry iteration # 3 ecut= 80.00 Ry beta=0.70 Davidson diagonalization with overlap ethr = 2.36E-04, avg # of iterations = 4.1 total cpu time spent up to now is 9.0 secs total energy = -40.62248914 Ry Harris-Foulkes estimate = -40.62219298 Ry estimated scf accuracy < 0.00049744 Ry iteration # 4 ecut= 80.00 Ry beta=0.70 Davidson diagonalization with overlap ethr = 4.97E-06, avg # of iterations = 6.2 total cpu time spent up to now is 12.2 secs total energy = -40.62264659 Ry Harris-Foulkes estimate = -40.62261112 Ry estimated scf accuracy < 0.00003492 Ry iteration # 5 ecut= 80.00 Ry beta=0.70 Davidson diagonalization with overlap ethr = 3.49E-07, avg # of iterations = 2.5 total cpu time spent up to now is 14.4 secs total energy = -40.62265664 Ry Harris-Foulkes estimate = -40.62265666 Ry estimated scf accuracy < 0.00000068 Ry iteration # 6 ecut= 80.00 Ry beta=0.70 Davidson diagonalization with overlap ethr = 6.77E-09, avg # of iterations = 4.0 total cpu time spent up to now is 17.0 secs total energy = -40.62265729 Ry Harris-Foulkes estimate = -40.62265725 Ry estimated scf accuracy < 0.00000003 Ry iteration # 7 ecut= 80.00 Ry beta=0.70 Davidson diagonalization with overlap ethr = 2.84E-10, avg # of iterations = 3.2 total cpu time spent up to now is 19.3 secs End of self-consistent calculation k = 0.0000 0.0000 0.0000 ( 5209 PWs) bands (ev): -16.6489 -16.6489 -5.0446 -5.0446 -3.5021 -3.5021 -3.5021 -3.5021 1.9472 1.9472 8.5592 8.5592 8.5592 8.5592 8.6203 8.6203 9.5196 9.5196 occupation numbers 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 k = 0.0000 0.0000 0.1750 ( 5252 PWs) bands (ev): -16.6303 -16.6303 -5.1122 -5.1122 -3.6568 -3.6568 -3.5239 -3.5239 2.2568 2.2568 7.9968 7.9968 8.6844 8.6845 8.7431 8.7431 9.2874 9.2874 occupation numbers 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 k = 0.0000 0.0000 0.3499 ( 5300 PWs) bands (ev): -16.5878 -16.5878 -5.2826 -5.2826 -3.9336 -3.9336 -3.5718 -3.5718 2.9339 2.9339 6.8331 6.8331 8.4977 8.4977 8.5644 8.5644 9.6154 9.6154 occupation numbers 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 k = 0.0000 0.0000 0.5249 ( 5282 PWs) bands (ev): -16.5532 -16.5532 -5.4362 -5.4362 -4.1011 -4.1011 -3.6092 -3.6092 3.5251 3.5251 5.9761 5.9761 8.1748 8.1748 8.2337 8.2337 10.5841 10.5842 occupation numbers 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 k = 0.0000 0.1650-0.0583 ( 5252 PWs) bands (ev): -16.6303 -16.6303 -5.1122 -5.1122 -3.6568 -3.6568 -3.5239 -3.5239 2.2568 2.2568 7.9968 7.9968 8.6844 8.6845 8.7430 8.7431 9.2874 9.2874 occupation numbers 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 k = 0.0000 0.1650 0.1166 ( 5257 PWs) bands (ev): -16.6241 -16.6241 -5.1301 -5.1301 -3.6702 -3.6702 -3.5673 -3.5673 2.3162 2.3162 7.9667 7.9667 8.5207 8.5207 8.8442 8.8443 8.9010 8.9010 occupation numbers 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 k = 0.0000 0.1650 0.2916 ( 5269 PWs) bands (ev): -16.5897 -16.5897 -5.2546 -5.2546 -3.8877 -3.8877 -3.6231 -3.6231 2.7439 2.7439 7.3029 7.3029 7.9205 7.9205 8.9824 8.9824 9.5602 9.5602 occupation numbers 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 k = 0.0000 0.1650 0.4666 ( 5285 PWs) bands (ev): -16.5525 -16.5525 -5.4008 -5.4008 -4.0812 -4.0812 -3.6779 -3.6779 3.2061 3.2061 6.4978 6.4978 8.0478 8.0478 8.6547 8.6547 9.9806 9.9806 occupation numbers 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 k = 0.0000 0.1650-0.5832 ( 5285 PWs) bands (ev): -16.5408 -16.5408 -5.4484 -5.4484 -4.1373 -4.1373 -3.6941 -3.6941 3.4031 3.4031 6.2167 6.2167 8.1257 8.1257 8.4510 8.4510 10.7356 10.7356 occupation numbers 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 k = 0.0000 0.1650-0.4082 ( 5307 PWs) bands (ev): -16.5639 -16.5639 -5.3574 -5.3574 -4.0365 -4.0365 -3.6547 -3.6547 3.1599 3.1599 6.6776 6.6776 7.9317 7.9317 8.6021 8.6021 9.9878 9.9878 occupation numbers 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 k = 0.0000 0.1650-0.2333 ( 5272 PWs) bands (ev): -16.6037 -16.6037 -5.2081 -5.2081 -3.8235 -3.8235 -3.5810 -3.5810 2.6439 2.6439 7.7055 7.7055 7.8037 7.8037 9.0461 9.0461 9.1640 9.1640 occupation numbers 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 k = 0.0000 0.3299-0.1166 ( 5300 PWs) bands (ev): -16.5878 -16.5878 -5.2826 -5.2826 -3.9336 -3.9336 -3.5718 -3.5718 2.9339 2.9339 6.8331 6.8331 8.4977 8.4977 8.5644 8.5644 9.6154 9.6154 occupation numbers 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 k = 0.0000 0.3299 0.0583 ( 5269 PWs) bands (ev): -16.5897 -16.5897 -5.2546 -5.2546 -3.8877 -3.8877 -3.6231 -3.6231 2.7439 2.7439 7.3029 7.3029 7.9205 7.9205 8.9824 8.9824 9.5602 9.5602 occupation numbers 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 k = 0.0000 0.3299 0.2333 ( 5305 PWs) bands (ev): -16.5681 -16.5681 -5.3124 -5.3124 -3.9584 -3.9584 -3.7087 -3.7087 2.6597 2.6597 7.1111 7.1111 7.9954 7.9954 9.6840 9.6840 9.7847 9.7848 occupation numbers 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 k = 0.0000 0.3299 0.4082 ( 5276 PWs) bands (ev): -16.5390 -16.5390 -5.4038 -5.4038 -4.0834 -4.0834 -3.7854 -3.7854 2.7237 2.7237 6.9314 6.9314 8.1088 8.1088 9.7319 9.7319 10.2037 10.2037 occupation numbers 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 k = 0.0000 0.3299-0.6415 ( 5295 PWs) bands (ev): -16.5244 -16.5244 -5.4465 -5.4465 -4.1559 -4.1559 -3.8354 -3.8354 2.9388 2.9388 6.8808 6.8808 8.1928 8.1928 9.3003 9.3003 10.3458 10.3458 occupation numbers 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 k = 0.0000 0.3299-0.4666 ( 5280 PWs) bands (ev): -16.5356 -16.5356 -5.4219 -5.4219 -4.1388 -4.1388 -3.7820 -3.7820 3.1656 3.1656 6.8268 6.8268 7.7948 7.7949 8.9395 8.9395 10.3504 10.3504 occupation numbers 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 k = 0.0000 0.3299-0.2916 ( 5307 PWs) bands (ev): -16.5639 -16.5639 -5.3574 -5.3574 -4.0365 -4.0365 -3.6547 -3.6547 3.1599 3.1599 6.6776 6.6776 7.9317 7.9317 8.6021 8.6021 9.9878 9.9879 occupation numbers 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 k = 0.0000 0.4949-0.1750 ( 5282 PWs) bands (ev): -16.5532 -16.5532 -5.4362 -5.4362 -4.1011 -4.1011 -3.6092 -3.6092 3.5251 3.5251 5.9761 5.9761 8.1748 8.1748 8.2337 8.2337 10.5841 10.5842 occupation numbers 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 k = 0.0000 0.4949-0.0000 ( 5285 PWs) bands (ev): -16.5525 -16.5525 -5.4008 -5.4008 -4.0812 -4.0812 -3.6779 -3.6779 3.2061 3.2061 6.4977 6.4978 8.0478 8.0478 8.6547 8.6547 9.9806 9.9807 occupation numbers 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 k = 0.0000 0.4949 0.1750 ( 5276 PWs) bands (ev): -16.5390 -16.5390 -5.4038 -5.4038 -4.0834 -4.0834 -3.7854 -3.7854 2.7237 2.7237 6.9314 6.9314 8.1088 8.1088 9.7319 9.7319 10.2037 10.2037 occupation numbers 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 k = 0.0000 0.4949 0.3499 ( 5294 PWs) bands (ev): -16.5229 -16.5229 -5.4460 -5.4460 -4.1320 -4.1320 -3.8175 -3.8175 2.4272 2.4272 6.6265 6.6265 9.0868 9.0868 11.0549 11.0555 11.2008 11.3701 occupation numbers 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 k = 0.0000 0.4949-0.6999 ( 5294 PWs) bands (ev): -16.5164 -16.5164 -5.4596 -5.4596 -4.1519 -4.1519 -3.8641 -3.8641 2.5212 2.5212 6.7455 6.7455 8.9993 8.9993 10.4713 10.4713 10.6107 10.6107 occupation numbers 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 k = 0.0000 0.4949-0.5249 ( 5295 PWs) bands (ev): -16.5244 -16.5244 -5.4465 -5.4465 -4.1559 -4.1559 -3.8354 -3.8354 2.9388 2.9388 6.8808 6.8808 8.1928 8.1928 9.3003 9.3003 10.3458 10.3458 occupation numbers 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 k = 0.0000 0.4949-0.3499 ( 5285 PWs) bands (ev): -16.5408 -16.5408 -5.4484 -5.4484 -4.1373 -4.1373 -3.6941 -3.6941 3.4031 3.4031 6.2167 6.2167 8.1257 8.1257 8.4510 8.4510 10.7356 10.7356 occupation numbers 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 k = 0.1429 0.2474-0.1750 ( 5269 PWs) bands (ev): -16.5897 -16.5897 -5.2546 -5.2546 -3.8877 -3.8877 -3.6231 -3.6231 2.7439 2.7439 7.3029 7.3029 7.9205 7.9205 8.9824 8.9824 9.5602 9.5603 occupation numbers 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 k = 0.1429 0.2474-0.0000 ( 5272 PWs) bands (ev): -16.6037 -16.6037 -5.2081 -5.2081 -3.8235 -3.8235 -3.5810 -3.5810 2.6439 2.6439 7.7055 7.7055 7.8037 7.8037 9.0461 9.0461 9.1640 9.1640 occupation numbers 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 k = 0.1429 0.2474 0.3499 ( 5283 PWs) bands (ev): -16.5579 -16.5579 -5.3552 -5.3552 -4.0298 -4.0298 -3.7185 -3.7185 2.9468 2.9468 7.3165 7.3165 7.3651 7.3651 9.1322 9.1322 9.8593 9.8593 occupation numbers 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 k = 0.1429 0.2474-0.6999 ( 5265 PWs) bands (ev): -16.5321 -16.5321 -5.4335 -5.4335 -4.1358 -4.1358 -3.8005 -3.8005 3.0846 3.0846 6.8757 6.8757 7.8279 7.8279 8.9718 8.9718 10.5693 10.5694 occupation numbers 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 k = 0.1429 0.4124-0.2333 ( 5285 PWs) bands (ev): -16.5525 -16.5525 -5.4008 -5.4008 -4.0812 -4.0812 -3.6779 -3.6779 3.2061 3.2061 6.4977 6.4978 8.0478 8.0478 8.6547 8.6547 9.9806 9.9807 occupation numbers 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 k = 0.1429 0.4124-0.0583 ( 5307 PWs) bands (ev): -16.5639 -16.5639 -5.3574 -5.3574 -4.0365 -4.0365 -3.6547 -3.6547 3.1599 3.1599 6.6776 6.6776 7.9317 7.9317 8.6021 8.6021 9.9878 9.9878 occupation numbers 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 k = 0.1429 0.4124 0.1166 ( 5283 PWs) bands (ev): -16.5579 -16.5579 -5.3552 -5.3552 -4.0298 -4.0298 -3.7185 -3.7185 2.9468 2.9468 7.3165 7.3165 7.3651 7.3651 9.1322 9.1322 9.8593 9.8593 occupation numbers 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 k = 0.1429 0.4124 0.2916 ( 5276 PWs) bands (ev): -16.5390 -16.5390 -5.4038 -5.4038 -4.0834 -4.0834 -3.7854 -3.7854 2.7237 2.7237 6.9314 6.9314 8.1088 8.1088 9.7319 9.7319 10.2037 10.2037 occupation numbers 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 k = 0.1429 0.4124-0.7582 ( 5298 PWs) bands (ev): -16.5213 -16.5213 -5.4450 -5.4450 -4.1296 -4.1296 -3.8765 -3.8765 2.6952 2.6952 7.0139 7.0139 8.2684 8.2684 9.5333 9.5333 11.2605 11.2606 occupation numbers 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 k = 0.1429 0.4124-0.5832 ( 5284 PWs) bands (ev): -16.5182 -16.5182 -5.4490 -5.4490 -4.1392 -4.1392 -3.9150 -3.9150 2.8643 2.8643 7.2704 7.2704 8.0029 8.0029 8.9893 8.9893 11.1662 11.1663 occupation numbers 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 k = 0.1429 0.4124-0.4082 ( 5265 PWs) bands (ev): -16.5321 -16.5321 -5.4335 -5.4335 -4.1358 -4.1358 -3.8005 -3.8005 3.0846 3.0846 6.8757 6.8757 7.8279 7.8279 8.9718 8.9718 10.5693 10.5694 occupation numbers 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 k = 0.1429-0.5774 0.1166 ( 5285 PWs) bands (ev): -16.5408 -16.5408 -5.4484 -5.4484 -4.1373 -4.1373 -3.6941 -3.6941 3.4031 3.4031 6.2167 6.2167 8.1257 8.1257 8.4510 8.4510 10.7356 10.7356 occupation numbers 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 k = 0.1429-0.5774 0.4666 ( 5265 PWs) bands (ev): -16.5321 -16.5321 -5.4335 -5.4335 -4.1358 -4.1358 -3.8005 -3.8005 3.0846 3.0846 6.8757 6.8757 7.8279 7.8279 8.9718 8.9718 10.5693 10.5694 occupation numbers 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 k = 0.1429-0.5774 0.6415 ( 5298 PWs) bands (ev): -16.5213 -16.5213 -5.4450 -5.4450 -4.1296 -4.1296 -3.8765 -3.8765 2.6952 2.6952 7.0139 7.0139 8.2684 8.2684 9.5333 9.5333 11.2605 11.2606 occupation numbers 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 k = 0.1429-0.5774-0.4082 ( 5294 PWs) bands (ev): -16.5164 -16.5164 -5.4596 -5.4596 -4.1519 -4.1519 -3.8641 -3.8641 2.5212 2.5212 6.7455 6.7455 8.9993 8.9993 10.4713 10.4713 10.6107 10.6107 occupation numbers 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 k = 0.2857-0.6598 0.0583 ( 5295 PWs) bands (ev): -16.5244 -16.5244 -5.4465 -5.4465 -4.1559 -4.1559 -3.8354 -3.8354 2.9388 2.9388 6.8808 6.8808 8.1928 8.1928 9.3003 9.3003 10.3458 10.3458 occupation numbers 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 k = 0.2857-0.6598 0.2333 ( 5265 PWs) bands (ev): -16.5321 -16.5321 -5.4335 -5.4335 -4.1358 -4.1358 -3.8005 -3.8005 3.0846 3.0846 6.8757 6.8757 7.8279 7.8279 8.9718 8.9718 10.5693 10.5694 occupation numbers 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 k = 0.2857-0.6598 0.4082 ( 5280 PWs) bands (ev): -16.5356 -16.5356 -5.4219 -5.4219 -4.1388 -4.1388 -3.7820 -3.7820 3.1656 3.1656 6.8268 6.8268 7.7948 7.7948 8.9394 8.9395 10.3504 10.3505 occupation numbers 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 k = 0.2857-0.6598-0.2916 ( 5284 PWs) bands (ev): -16.5182 -16.5182 -5.4490 -5.4490 -4.1392 -4.1392 -3.9150 -3.9150 2.8643 2.8643 7.2704 7.2704 8.0029 8.0029 8.9893 8.9893 11.1662 11.1662 occupation numbers 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 the Fermi energy is 4.3789 ev ! total energy = -40.62265731 Ry Harris-Foulkes estimate = -40.62265731 Ry estimated scf accuracy < 6.0E-09 Ry The total energy is the sum of the following terms: one-electron contribution = -6.71779692 Ry hartree contribution = 5.90761707 Ry xc contribution = -6.98175309 Ry ewald contribution = -32.83072437 Ry smearing contrib. (-TS) = 0.00000000 Ry convergence has been achieved in 7 iterations Writing output data file CsH.save init_run : 0.77s CPU 0.95s WALL ( 1 calls) electrons : 16.60s CPU 18.26s WALL ( 1 calls) Called by init_run: wfcinit : 0.54s CPU 0.59s WALL ( 1 calls) potinit : 0.01s CPU 0.02s WALL ( 1 calls) Called by electrons: c_bands : 14.35s CPU 15.68s WALL ( 7 calls) sum_band : 1.58s CPU 1.61s WALL ( 7 calls) v_of_rho : 0.03s CPU 0.03s WALL ( 8 calls) v_h : 0.01s CPU 0.00s WALL ( 8 calls) v_xc : 0.02s CPU 0.03s WALL ( 8 calls) newd : 0.71s CPU 0.71s WALL ( 8 calls) mix_rho : 0.01s CPU 0.01s WALL ( 7 calls) Called by c_bands: init_us_2 : 0.04s CPU 0.07s WALL ( 660 calls) cegterg : 12.88s CPU 13.05s WALL ( 308 calls) Called by sum_band: sum_band:bec : 0.01s CPU 0.01s WALL ( 308 calls) addusdens : 0.00s CPU 0.01s WALL ( 7 calls) Called by *egterg: h_psi : 9.51s CPU 9.73s WALL ( 1627 calls) s_psi : 0.10s CPU 0.11s WALL ( 1627 calls) g_psi : 0.02s CPU 0.02s WALL ( 1275 calls) cdiaghg : 2.92s CPU 2.89s WALL ( 1583 calls) cegterg:over : 0.24s CPU 0.24s WALL ( 1275 calls) cegterg:upda : 0.25s CPU 0.25s WALL ( 1275 calls) cegterg:last : 0.10s CPU 0.09s WALL ( 334 calls) cdiaghg:chol : 0.17s CPU 0.18s WALL ( 1583 calls) cdiaghg:inve : 0.02s CPU 0.04s WALL ( 1583 calls) cdiaghg:para : 0.25s CPU 0.22s WALL ( 3166 calls) Called by h_psi: h_psi:vloc : 8.92s CPU 9.09s WALL ( 1627 calls) h_psi:vnl : 0.58s CPU 0.64s WALL ( 1627 calls) add_vuspsi : 0.37s CPU 0.40s WALL ( 1627 calls) General routines calbec : 0.28s CPU 0.30s WALL ( 1935 calls) fft : 0.04s CPU 0.04s WALL ( 147 calls) fftw : 9.83s CPU 10.00s WALL ( 80752 calls) Parallel routines fft_scatter : 2.91s CPU 3.10s WALL ( 80899 calls) PWSCF : 18.78s CPU 24.32s WALL This run was terminated on: 17:27: 9 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=