TACC: Starting up job 3124540 TACC: Starting parallel tasks... Program turboMAGNON v.7.5 starts on 27Apr2026 at 11:30:10 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); "P. Giannozzi et al., J. Phys.:Condens. Matter 29 465901 (2017); "P. Giannozzi et al., J. Chem. Phys. 152 154105 (2020); 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 128 processors MPI processes distributed on 4 nodes K-points division: npool = 8 R & G space division: proc/nbgrp/npool/nimage = 16 242681 MiB available memory on the printing compute node when the environment starts Reading xml data from directory: ./tmp/MnPS3.save/ IMPORTANT: XC functional enforced from input : Exchange-correlation= PW ( 1 4 0 0 0 0 0) Any further DFT definition will be discarded Please, verify this is what you really want Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 366 366 99 23637 23637 3347 Max 367 367 100 23639 23639 3350 Sum 5859 5859 1585 378207 378207 53567 Using Slab Decomposition Reading collected, re-writing distributed wavefunctions 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: 4* 4 procs) -------------------------------------------------------------------------------------------------- Please cite this project as: T. Gorni, I. Timrov, S. Baroni, Eur. Phys. J. B 91, 249 (2018). T. Gorni, O. Baseggio, P. Delugas, S. Baroni, I. Timrov, Comput. Phys. Commun. 280, 108500 (2022). -------------------------------------------------------------------------------------------------- Using the TDDFT approximation. Using the pseudo-Hermitian Lanczos algorithm. ---------------------------- NSCF calculation ---------------------------- Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 366 366 102 23637 23637 3477 Max 367 367 104 23639 23639 3478 Sum 5859 5859 1639 378207 378207 55641 Using Slab Decomposition bravais-lattice index = 0 lattice parameter (alat) = 11.1614 a.u. unit-cell volume = 1262.6319 (a.u.)^3 number of atoms/cell = 10 number of atomic types = 4 number of electrons = 76.00 number of Kohn-Sham states= 76 kinetic-energy cutoff = 170.0000 Ry charge density cutoff = 680.0000 Ry Exchange-correlation= PW ( 1 4 0 0 0 0 0) Noncollinear calculation without spin-orbit celldm(1)= 11.161437 celldm(2)= 0.000000 celldm(3)= 0.000000 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= 0.000000 crystal axes: (cart. coord. in units of alat) a(1) = ( 0.999997 0.002457 -0.000027 ) a(2) = ( -0.497866 -0.868260 -0.001818 ) a(3) = ( -0.329545 0.001378 -1.047308 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.001404 -0.573550 -0.315855 ) b(2) = ( 0.002834 -1.153349 -0.002409 ) b(3) = ( -0.000031 0.002017 -0.954816 ) PseudoPot. # 1 for Mn read from file: ./Mn.upf MD5 check sum: 9aa759700ec57c76f31501e1d7bd4638 Pseudo is Norm-conserving + core correction, Zval = 15.0 Generated using ONCVPSP code by D. R. Hamann Using radial grid of 1430 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 2 l(6) = 2 PseudoPot. # 2 for Mn read from file: ./Mn.upf MD5 check sum: 9aa759700ec57c76f31501e1d7bd4638 Pseudo is Norm-conserving + core correction, Zval = 15.0 Generated using ONCVPSP code by D. R. Hamann Using radial grid of 1430 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 2 l(6) = 2 PseudoPot. # 3 for P read from file: ./P.upf MD5 check sum: d3056591dd67dc08dea8f764e3c1454e Pseudo is Norm-conserving + core correction, Zval = 5.0 Generated using ONCVPSP code by D. R. Hamann Using radial grid of 1298 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 2 l(6) = 2 PseudoPot. # 4 for S read from file: ./S.upf MD5 check sum: cfbafe2d9696d3a6dba9d1b50753f7f7 Pseudo is Norm-conserving + core correction, Zval = 6.0 Generated using ONCVPSP code by D. R. Hamann Using radial grid of 1132 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 2 l(6) = 2 atomic species valence mass pseudopotential Mn1 15.00 54.93805 Mn( 1.00) Mn2 15.00 54.93805 Mn( 1.00) P 5.00 30.97376 P ( 1.00) S 6.00 32.06000 S ( 1.00) No symmetry found Cartesian axes site n. atom positions (alat units) 1 Mn1 tau( 1) = ( 0.5007134 -0.2896371 -0.0006267 ) 2 P tau( 2) = ( -0.4974975 -0.8678662 -0.1874131 ) 3 S tau( 3) = ( 0.6688253 0.0022175 -0.2716142 ) 4 S tau( 4) = ( -0.3336892 -0.5809584 -0.2766238 ) 5 S tau( 5) = ( 0.1655859 -0.2853238 -0.2760171 ) 6 S tau( 6) = ( 0.0070004 -0.5791015 -0.7731360 ) 7 S tau( 7) = ( 0.5062755 -0.2834668 -0.7725294 ) 8 S tau( 8) = ( -0.4962390 -0.8666428 -0.7775389 ) 9 P tau( 9) = ( 0.6700838 0.0034410 -0.8617400 ) 10 Mn2 tau( 10) = ( -0.3281270 -0.5747882 -1.0485264 ) ------------------------------------------------- Parameters for Dispersion (Grimme-D2) Correction: ------------------------------------------------- atom VdW radius C_6 Mn1 2.952 374.666 Mn2 2.952 374.666 P 3.222 271.980 S 3.180 193.230 number of k points= 648 Number of k-points >= 100: set verbosity='high' to print them. Dense grid: 378207 G-vectors FFT dimensions: ( 96, 96, 108) Estimated max dynamical RAM per process > 98.54 MB Estimated total dynamical RAM > 12.32 GB The potential is recalculated from file : ./tmp/tmp_magnons/MnPS3.save/charge-density Starting wfcs are 104 atomic wfcs Band Structure Calculation Davidson diagonalization with overlap ethr = 1.00E-11, avg # of iterations = 40.4 total cpu time spent up to now is -1.0 secs End of band structure calculation Number of k-points >= 100: set verbosity='high' to print the bands. highest occupied level (ev): 7.5806 Writing all to output data dir ./tmp/tmp_magnons/MnPS3.save/ : XML data file, pseudopotentials, collected wavefunctions bravais-lattice index = 0 lattice parameter (a_0) = 11.1614 a.u. unit-cell volume = 1262.6319 (a.u.)^3 number of atoms/cell = 10 number of atomic types = 4 kinetic-energy cut-off = 170.0000 Ry charge density cut-off = 680.0000 Ry Exchange-correlation= PW ( 1 4 0 0 0 0 0) Noncollinear calculation without spin-orbit celldm(1)= 11.16144 celldm(2)= 0.00000 celldm(3)= 0.00000 celldm(4)= 0.00000 celldm(5)= 0.00000 celldm(6)= 0.00000 crystal axes: (cart. coord. in units of a_0) a(1) = ( 1.0000 0.0025 -0.0000 ) a(2) = ( -0.4979 -0.8683 -0.0018 ) a(3) = ( -0.3295 0.0014 -1.0473 ) reciprocal axes: (cart. coord. in units 2 pi/a_0) b(1) = ( 1.0014 -0.5735 -0.3159 ) b(2) = ( 0.0028 -1.1533 -0.0024 ) b(3) = ( -0.0000 0.0020 -0.9548 ) Atoms inside the unit cell: Cartesian axes site n. atom mass positions (a_0 units) 1 Mn1 54.9380 tau( 1) = ( 0.50071 -0.28964 -0.00063 ) 2 P 30.9738 tau( 2) = ( -0.49750 -0.86787 -0.18741 ) 3 S 32.0600 tau( 3) = ( 0.66883 0.00222 -0.27161 ) 4 S 32.0600 tau( 4) = ( -0.33369 -0.58096 -0.27662 ) 5 S 32.0600 tau( 5) = ( 0.16559 -0.28532 -0.27602 ) 6 S 32.0600 tau( 6) = ( 0.00700 -0.57910 -0.77314 ) 7 S 32.0600 tau( 7) = ( 0.50628 -0.28347 -0.77253 ) 8 S 32.0600 tau( 8) = ( -0.49624 -0.86664 -0.77754 ) 9 P 30.9738 tau( 9) = ( 0.67008 0.00344 -0.86174 ) 10 Mn2 54.9380 tau(10) = ( -0.32813 -0.57479 -1.04853 ) No symmetry! s frac. trans. isym = 1 identity Time Reversal 0 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 ) G cutoff = 2145.8009 ( 23639 G-vectors) FFT grid: ( 96, 96,108) number of k points= 648 cart. coord. in units 2pi/a_0 k( 1) = ( 0.0836839 -0.1437401 -0.1060900), wk = 0.0046296 k( 2) = ( 0.5836839 -0.1437401 -0.1060900), wk = 0.0000000 k( 3) = ( -0.4163161 -0.1437401 -0.1060900), wk = 0.0000000 k( 4) = ( -0.0836839 0.1437401 0.1060900), wk = 0.0046296 k( 5) = ( 0.4163161 0.1437401 0.1060900), wk = 0.0000000 k( 6) = ( -0.5836839 0.1437401 0.1060900), wk = 0.0000000 k( 7) = ( 0.0836788 -0.1434041 -0.2652261), wk = 0.0046296 k( 8) = ( 0.5836788 -0.1434041 -0.2652261), wk = 0.0000000 k( 9) = ( -0.4163212 -0.1434041 -0.2652261), wk = 0.0000000 k( 10) = ( -0.0836788 0.1434041 0.2652261), wk = 0.0046296 k( 11) = ( 0.4163212 0.1434041 0.2652261), wk = 0.0000000 k( 12) = ( -0.5836788 0.1434041 0.2652261), wk = 0.0000000 k( 13) = ( 0.0836736 -0.1430680 -0.4243621), wk = 0.0046296 k( 14) = ( 0.5836736 -0.1430680 -0.4243621), wk = 0.0000000 k( 15) = ( -0.4163264 -0.1430680 -0.4243621), wk = 0.0000000 k( 16) = ( -0.0836736 0.1430680 0.4243621), wk = 0.0046296 k( 17) = ( 0.4163264 0.1430680 0.4243621), wk = 0.0000000 k( 18) = ( -0.5836736 0.1430680 0.4243621), wk = 0.0000000 k( 19) = ( 0.0836994 -0.1447484 0.3713181), wk = 0.0046296 k( 20) = ( 0.5836994 -0.1447484 0.3713181), wk = 0.0000000 k( 21) = ( -0.4163006 -0.1447484 0.3713181), wk = 0.0000000 k( 22) = ( -0.0836994 0.1447484 -0.3713181), wk = 0.0046296 k( 23) = ( 0.4163006 0.1447484 -0.3713181), wk = 0.0000000 k( 24) = ( -0.5836994 0.1447484 -0.3713181), wk = 0.0000000 k( 25) = ( 0.0836943 -0.1444123 0.2121821), wk = 0.0046296 k( 26) = ( 0.5836943 -0.1444123 0.2121821), wk = 0.0000000 k( 27) = ( -0.4163057 -0.1444123 0.2121821), wk = 0.0000000 k( 28) = ( -0.0836943 0.1444123 -0.2121821), wk = 0.0046296 k( 29) = ( 0.4163057 0.1444123 -0.2121821), wk = 0.0000000 k( 30) = ( -0.5836943 0.1444123 -0.2121821), wk = 0.0000000 k( 31) = ( 0.0836891 -0.1440762 0.0530460), wk = 0.0046296 k( 32) = ( 0.5836891 -0.1440762 0.0530460), wk = 0.0000000 k( 33) = ( -0.4163109 -0.1440762 0.0530460), wk = 0.0000000 k( 34) = ( -0.0836891 0.1440762 -0.0530460), wk = 0.0046296 k( 35) = ( 0.4163109 0.1440762 -0.0530460), wk = 0.0000000 k( 36) = ( -0.5836891 0.1440762 -0.0530460), wk = 0.0000000 k( 37) = ( 0.0841563 -0.3359649 -0.1064915), wk = 0.0046296 k( 38) = ( 0.5841563 -0.3359649 -0.1064915), wk = 0.0000000 k( 39) = ( -0.4158437 -0.3359649 -0.1064915), wk = 0.0000000 k( 40) = ( -0.0841563 0.3359649 0.1064915), wk = 0.0046296 k( 41) = ( 0.4158437 0.3359649 0.1064915), wk = 0.0000000 k( 42) = ( -0.5841563 0.3359649 0.1064915), wk = 0.0000000 k( 43) = ( 0.0841511 -0.3356288 -0.2656275), wk = 0.0046296 k( 44) = ( 0.5841511 -0.3356288 -0.2656275), wk = 0.0000000 k( 45) = ( -0.4158489 -0.3356288 -0.2656275), wk = 0.0000000 k( 46) = ( -0.0841511 0.3356288 0.2656275), wk = 0.0046296 k( 47) = ( 0.4158489 0.3356288 0.2656275), wk = 0.0000000 k( 48) = ( -0.5841511 0.3356288 0.2656275), wk = 0.0000000 k( 49) = ( 0.0841460 -0.3352927 -0.4247636), wk = 0.0046296 k( 50) = ( 0.5841460 -0.3352927 -0.4247636), wk = 0.0000000 k( 51) = ( -0.4158540 -0.3352927 -0.4247636), wk = 0.0000000 k( 52) = ( -0.0841460 0.3352927 0.4247636), wk = 0.0046296 k( 53) = ( 0.4158540 0.3352927 0.4247636), wk = 0.0000000 k( 54) = ( -0.5841460 0.3352927 0.4247636), wk = 0.0000000 k( 55) = ( 0.0841718 -0.3369732 0.3709166), wk = 0.0046296 k( 56) = ( 0.5841718 -0.3369732 0.3709166), wk = 0.0000000 k( 57) = ( -0.4158282 -0.3369732 0.3709166), wk = 0.0000000 k( 58) = ( -0.0841718 0.3369732 -0.3709166), wk = 0.0046296 k( 59) = ( 0.4158282 0.3369732 -0.3709166), wk = 0.0000000 k( 60) = ( -0.5841718 0.3369732 -0.3709166), wk = 0.0000000 k( 61) = ( 0.0841666 -0.3366371 0.2117806), wk = 0.0046296 k( 62) = ( 0.5841666 -0.3366371 0.2117806), wk = 0.0000000 k( 63) = ( -0.4158334 -0.3366371 0.2117806), wk = 0.0000000 k( 64) = ( -0.0841666 0.3366371 -0.2117806), wk = 0.0046296 k( 65) = ( 0.4158334 0.3366371 -0.2117806), wk = 0.0000000 k( 66) = ( -0.5841666 0.3366371 -0.2117806), wk = 0.0000000 k( 67) = ( 0.0841615 -0.3363010 0.0526445), wk = 0.0046296 k( 68) = ( 0.5841615 -0.3363010 0.0526445), wk = 0.0000000 k( 69) = ( -0.4158385 -0.3363010 0.0526445), wk = 0.0000000 k( 70) = ( -0.0841615 0.3363010 -0.0526445), wk = 0.0046296 k( 71) = ( 0.4158385 0.3363010 -0.0526445), wk = 0.0000000 k( 72) = ( -0.5841615 0.3363010 -0.0526445), wk = 0.0000000 k( 73) = ( 0.0846287 -0.5281896 -0.1068930), wk = 0.0046296 k( 74) = ( 0.5846287 -0.5281896 -0.1068930), wk = 0.0000000 k( 75) = ( -0.4153713 -0.5281896 -0.1068930), wk = 0.0000000 k( 76) = ( -0.0846287 0.5281896 0.1068930), wk = 0.0046296 k( 77) = ( 0.4153713 0.5281896 0.1068930), wk = 0.0000000 k( 78) = ( -0.5846287 0.5281896 0.1068930), wk = 0.0000000 k( 79) = ( 0.0846235 -0.5278536 -0.2660290), wk = 0.0046296 k( 80) = ( 0.5846235 -0.5278536 -0.2660290), wk = 0.0000000 k( 81) = ( -0.4153765 -0.5278536 -0.2660290), wk = 0.0000000 k( 82) = ( -0.0846235 0.5278536 0.2660290), wk = 0.0046296 k( 83) = ( 0.4153765 0.5278536 0.2660290), wk = 0.0000000 k( 84) = ( -0.5846235 0.5278536 0.2660290), wk = 0.0000000 k( 85) = ( 0.0846183 -0.5275175 -0.4251651), wk = 0.0046296 k( 86) = ( 0.5846183 -0.5275175 -0.4251651), wk = 0.0000000 k( 87) = ( -0.4153817 -0.5275175 -0.4251651), wk = 0.0000000 k( 88) = ( -0.0846183 0.5275175 0.4251651), wk = 0.0046296 k( 89) = ( 0.4153817 0.5275175 0.4251651), wk = 0.0000000 k( 90) = ( -0.5846183 0.5275175 0.4251651), wk = 0.0000000 k( 91) = ( 0.0846442 -0.5291979 0.3705152), wk = 0.0046296 k( 92) = ( 0.5846442 -0.5291979 0.3705152), wk = 0.0000000 k( 93) = ( -0.4153558 -0.5291979 0.3705152), wk = 0.0000000 k( 94) = ( -0.0846442 0.5291979 -0.3705152), wk = 0.0046296 k( 95) = ( 0.4153558 0.5291979 -0.3705152), wk = 0.0000000 k( 96) = ( -0.5846442 0.5291979 -0.3705152), wk = 0.0000000 k( 97) = ( 0.0846390 -0.5288618 0.2113791), wk = 0.0046296 k( 98) = ( 0.5846390 -0.5288618 0.2113791), wk = 0.0000000 k( 99) = ( -0.4153610 -0.5288618 0.2113791), wk = 0.0000000 k( 100) = ( -0.0846390 0.5288618 -0.2113791), wk = 0.0046296 k( 101) = ( 0.4153610 0.5288618 -0.2113791), wk = 0.0000000 k( 102) = ( -0.5846390 0.5288618 -0.2113791), wk = 0.0000000 k( 103) = ( 0.0846338 -0.5285257 0.0522431), wk = 0.0046296 k( 104) = ( 0.5846338 -0.5285257 0.0522431), wk = 0.0000000 k( 105) = ( -0.4153662 -0.5285257 0.0522431), wk = 0.0000000 k( 106) = ( -0.0846338 0.5285257 -0.0522431), wk = 0.0046296 k( 107) = ( 0.4153662 0.5285257 -0.0522431), wk = 0.0000000 k( 108) = ( -0.5846338 0.5285257 -0.0522431), wk = 0.0000000 k( 109) = ( 0.0822668 0.4329341 -0.1048856), wk = 0.0046296 k( 110) = ( 0.5822668 0.4329341 -0.1048856), wk = 0.0000000 k( 111) = ( -0.4177332 0.4329341 -0.1048856), wk = 0.0000000 k( 112) = ( -0.0822668 -0.4329341 0.1048856), wk = 0.0046296 k( 113) = ( 0.4177332 -0.4329341 0.1048856), wk = 0.0000000 k( 114) = ( -0.5822668 -0.4329341 0.1048856), wk = 0.0000000 k( 115) = ( 0.0822617 0.4332702 -0.2640217), wk = 0.0046296 k( 116) = ( 0.5822617 0.4332702 -0.2640217), wk = 0.0000000 k( 117) = ( -0.4177383 0.4332702 -0.2640217), wk = 0.0000000 k( 118) = ( -0.0822617 -0.4332702 0.2640217), wk = 0.0046296 k( 119) = ( 0.4177383 -0.4332702 0.2640217), wk = 0.0000000 k( 120) = ( -0.5822617 -0.4332702 0.2640217), wk = 0.0000000 k( 121) = ( 0.0822565 0.4336063 -0.4231577), wk = 0.0046296 k( 122) = ( 0.5822565 0.4336063 -0.4231577), wk = 0.0000000 k( 123) = ( -0.4177435 0.4336063 -0.4231577), wk = 0.0000000 k( 124) = ( -0.0822565 -0.4336063 0.4231577), wk = 0.0046296 k( 125) = ( 0.4177435 -0.4336063 0.4231577), wk = 0.0000000 k( 126) = ( -0.5822565 -0.4336063 0.4231577), wk = 0.0000000 k( 127) = ( 0.0822823 0.4319259 0.3725225), wk = 0.0046296 k( 128) = ( 0.5822823 0.4319259 0.3725225), wk = 0.0000000 k( 129) = ( -0.4177177 0.4319259 0.3725225), wk = 0.0000000 k( 130) = ( -0.0822823 -0.4319259 -0.3725225), wk = 0.0046296 k( 131) = ( 0.4177177 -0.4319259 -0.3725225), wk = 0.0000000 k( 132) = ( -0.5822823 -0.4319259 -0.3725225), wk = 0.0000000 k( 133) = ( 0.0822772 0.4322619 0.2133865), wk = 0.0046296 k( 134) = ( 0.5822772 0.4322619 0.2133865), wk = 0.0000000 k( 135) = ( -0.4177228 0.4322619 0.2133865), wk = 0.0000000 k( 136) = ( -0.0822772 -0.4322619 -0.2133865), wk = 0.0046296 k( 137) = ( 0.4177228 -0.4322619 -0.2133865), wk = 0.0000000 k( 138) = ( -0.5822772 -0.4322619 -0.2133865), wk = 0.0000000 k( 139) = ( 0.0822720 0.4325980 0.0542504), wk = 0.0046296 k( 140) = ( 0.5822720 0.4325980 0.0542504), wk = 0.0000000 k( 141) = ( -0.4177280 0.4325980 0.0542504), wk = 0.0000000 k( 142) = ( -0.0822720 -0.4325980 -0.0542504), wk = 0.0046296 k( 143) = ( 0.4177280 -0.4325980 -0.0542504), wk = 0.0000000 k( 144) = ( -0.5822720 -0.4325980 -0.0542504), wk = 0.0000000 k( 145) = ( 0.0827392 0.2407094 -0.1052871), wk = 0.0046296 k( 146) = ( 0.5827392 0.2407094 -0.1052871), wk = 0.0000000 k( 147) = ( -0.4172608 0.2407094 -0.1052871), wk = 0.0000000 k( 148) = ( -0.0827392 -0.2407094 0.1052871), wk = 0.0046296 k( 149) = ( 0.4172608 -0.2407094 0.1052871), wk = 0.0000000 k( 150) = ( -0.5827392 -0.2407094 0.1052871), wk = 0.0000000 k( 151) = ( 0.0827340 0.2410455 -0.2644231), wk = 0.0046296 k( 152) = ( 0.5827340 0.2410455 -0.2644231), wk = 0.0000000 k( 153) = ( -0.4172660 0.2410455 -0.2644231), wk = 0.0000000 k( 154) = ( -0.0827340 -0.2410455 0.2644231), wk = 0.0046296 k( 155) = ( 0.4172660 -0.2410455 0.2644231), wk = 0.0000000 k( 156) = ( -0.5827340 -0.2410455 0.2644231), wk = 0.0000000 k( 157) = ( 0.0827289 0.2413815 -0.4235592), wk = 0.0046296 k( 158) = ( 0.5827289 0.2413815 -0.4235592), wk = 0.0000000 k( 159) = ( -0.4172711 0.2413815 -0.4235592), wk = 0.0000000 k( 160) = ( -0.0827289 -0.2413815 0.4235592), wk = 0.0046296 k( 161) = ( 0.4172711 -0.2413815 0.4235592), wk = 0.0000000 k( 162) = ( -0.5827289 -0.2413815 0.4235592), wk = 0.0000000 k( 163) = ( 0.0827547 0.2397011 0.3721211), wk = 0.0046296 k( 164) = ( 0.5827547 0.2397011 0.3721211), wk = 0.0000000 k( 165) = ( -0.4172453 0.2397011 0.3721211), wk = 0.0000000 k( 166) = ( -0.0827547 -0.2397011 -0.3721211), wk = 0.0046296 k( 167) = ( 0.4172453 -0.2397011 -0.3721211), wk = 0.0000000 k( 168) = ( -0.5827547 -0.2397011 -0.3721211), wk = 0.0000000 k( 169) = ( 0.0827495 0.2400372 0.2129850), wk = 0.0046296 k( 170) = ( 0.5827495 0.2400372 0.2129850), wk = 0.0000000 k( 171) = ( -0.4172505 0.2400372 0.2129850), wk = 0.0000000 k( 172) = ( -0.0827495 -0.2400372 -0.2129850), wk = 0.0046296 k( 173) = ( 0.4172505 -0.2400372 -0.2129850), wk = 0.0000000 k( 174) = ( -0.5827495 -0.2400372 -0.2129850), wk = 0.0000000 k( 175) = ( 0.0827444 0.2403733 0.0538490), wk = 0.0046296 k( 176) = ( 0.5827444 0.2403733 0.0538490), wk = 0.0000000 k( 177) = ( -0.4172556 0.2403733 0.0538490), wk = 0.0000000 k( 178) = ( -0.0827444 -0.2403733 -0.0538490), wk = 0.0046296 k( 179) = ( 0.4172556 -0.2403733 -0.0538490), wk = 0.0000000 k( 180) = ( -0.5827444 -0.2403733 -0.0538490), wk = 0.0000000 k( 181) = ( 0.0832116 0.0484846 -0.1056886), wk = 0.0046296 k( 182) = ( 0.5832116 0.0484846 -0.1056886), wk = 0.0000000 k( 183) = ( -0.4167884 0.0484846 -0.1056886), wk = 0.0000000 k( 184) = ( -0.0832116 -0.0484846 0.1056886), wk = 0.0046296 k( 185) = ( 0.4167884 -0.0484846 0.1056886), wk = 0.0000000 k( 186) = ( -0.5832116 -0.0484846 0.1056886), wk = 0.0000000 k( 187) = ( 0.0832064 0.0488207 -0.2648246), wk = 0.0046296 k( 188) = ( 0.5832064 0.0488207 -0.2648246), wk = 0.0000000 k( 189) = ( -0.4167936 0.0488207 -0.2648246), wk = 0.0000000 k( 190) = ( -0.0832064 -0.0488207 0.2648246), wk = 0.0046296 k( 191) = ( 0.4167936 -0.0488207 0.2648246), wk = 0.0000000 k( 192) = ( -0.5832064 -0.0488207 0.2648246), wk = 0.0000000 k( 193) = ( 0.0832012 0.0491568 -0.4239606), wk = 0.0046296 k( 194) = ( 0.5832012 0.0491568 -0.4239606), wk = 0.0000000 k( 195) = ( -0.4167988 0.0491568 -0.4239606), wk = 0.0000000 k( 196) = ( -0.0832012 -0.0491568 0.4239606), wk = 0.0046296 k( 197) = ( 0.4167988 -0.0491568 0.4239606), wk = 0.0000000 k( 198) = ( -0.5832012 -0.0491568 0.4239606), wk = 0.0000000 k( 199) = ( 0.0832271 0.0474764 0.3717196), wk = 0.0046296 k( 200) = ( 0.5832271 0.0474764 0.3717196), wk = 0.0000000 k( 201) = ( -0.4167729 0.0474764 0.3717196), wk = 0.0000000 k( 202) = ( -0.0832271 -0.0474764 -0.3717196), wk = 0.0046296 k( 203) = ( 0.4167729 -0.0474764 -0.3717196), wk = 0.0000000 k( 204) = ( -0.5832271 -0.0474764 -0.3717196), wk = 0.0000000 k( 205) = ( 0.0832219 0.0478124 0.2125835), wk = 0.0046296 k( 206) = ( 0.5832219 0.0478124 0.2125835), wk = 0.0000000 k( 207) = ( -0.4167781 0.0478124 0.2125835), wk = 0.0000000 k( 208) = ( -0.0832219 -0.0478124 -0.2125835), wk = 0.0046296 k( 209) = ( 0.4167781 -0.0478124 -0.2125835), wk = 0.0000000 k( 210) = ( -0.5832219 -0.0478124 -0.2125835), wk = 0.0000000 k( 211) = ( 0.0832167 0.0481485 0.0534475), wk = 0.0046296 k( 212) = ( 0.5832167 0.0481485 0.0534475), wk = 0.0000000 k( 213) = ( -0.4167833 0.0481485 0.0534475), wk = 0.0000000 k( 214) = ( -0.0832167 -0.0481485 -0.0534475), wk = 0.0046296 k( 215) = ( 0.4167833 -0.0481485 -0.0534475), wk = 0.0000000 k( 216) = ( -0.5832167 -0.0481485 -0.0534475), wk = 0.0000000 k( 217) = ( 0.2505846 -0.2393318 -0.1587326), wk = 0.0046296 k( 218) = ( 0.7505846 -0.2393318 -0.1587326), wk = 0.0000000 k( 219) = ( -0.2494154 -0.2393318 -0.1587326), wk = 0.0000000 k( 220) = ( -0.2505846 0.2393318 0.1587326), wk = 0.0046296 k( 221) = ( 0.2494154 0.2393318 0.1587326), wk = 0.0000000 k( 222) = ( -0.7505846 0.2393318 0.1587326), wk = 0.0000000 k( 223) = ( 0.2505794 -0.2389957 -0.3178686), wk = 0.0046296 k( 224) = ( 0.7505794 -0.2389957 -0.3178686), wk = 0.0000000 k( 225) = ( -0.2494206 -0.2389957 -0.3178686), wk = 0.0000000 k( 226) = ( -0.2505794 0.2389957 0.3178686), wk = 0.0046296 k( 227) = ( 0.2494206 0.2389957 0.3178686), wk = 0.0000000 k( 228) = ( -0.7505794 0.2389957 0.3178686), wk = 0.0000000 k( 229) = ( 0.2505742 -0.2386596 -0.4770047), wk = 0.0046296 k( 230) = ( 0.7505742 -0.2386596 -0.4770047), wk = 0.0000000 k( 231) = ( -0.2494258 -0.2386596 -0.4770047), wk = 0.0000000 k( 232) = ( -0.2505742 0.2386596 0.4770047), wk = 0.0046296 k( 233) = ( 0.2494258 0.2386596 0.4770047), wk = 0.0000000 k( 234) = ( -0.7505742 0.2386596 0.4770047), wk = 0.0000000 k( 235) = ( 0.2506001 -0.2403400 0.3186756), wk = 0.0046296 k( 236) = ( 0.7506001 -0.2403400 0.3186756), wk = 0.0000000 k( 237) = ( -0.2493999 -0.2403400 0.3186756), wk = 0.0000000 k( 238) = ( -0.2506001 0.2403400 -0.3186756), wk = 0.0046296 k( 239) = ( 0.2493999 0.2403400 -0.3186756), wk = 0.0000000 k( 240) = ( -0.7506001 0.2403400 -0.3186756), wk = 0.0000000 k( 241) = ( 0.2505949 -0.2400039 0.1595395), wk = 0.0046296 k( 242) = ( 0.7505949 -0.2400039 0.1595395), wk = 0.0000000 k( 243) = ( -0.2494051 -0.2400039 0.1595395), wk = 0.0000000 k( 244) = ( -0.2505949 0.2400039 -0.1595395), wk = 0.0046296 k( 245) = ( 0.2494051 0.2400039 -0.1595395), wk = 0.0000000 k( 246) = ( -0.7505949 0.2400039 -0.1595395), wk = 0.0000000 k( 247) = ( 0.2505897 -0.2396678 0.0004035), wk = 0.0046296 k( 248) = ( 0.7505897 -0.2396678 0.0004035), wk = 0.0000000 k( 249) = ( -0.2494103 -0.2396678 0.0004035), wk = 0.0000000 k( 250) = ( -0.2505897 0.2396678 -0.0004035), wk = 0.0046296 k( 251) = ( 0.2494103 0.2396678 -0.0004035), wk = 0.0000000 k( 252) = ( -0.7505897 0.2396678 -0.0004035), wk = 0.0000000 k( 253) = ( 0.2510569 -0.4315565 -0.1591340), wk = 0.0046296 k( 254) = ( 0.7510569 -0.4315565 -0.1591340), wk = 0.0000000 k( 255) = ( -0.2489431 -0.4315565 -0.1591340), wk = 0.0000000 k( 256) = ( -0.2510569 0.4315565 0.1591340), wk = 0.0046296 k( 257) = ( 0.2489431 0.4315565 0.1591340), wk = 0.0000000 k( 258) = ( -0.7510569 0.4315565 0.1591340), wk = 0.0000000 k( 259) = ( 0.2510518 -0.4312204 -0.3182701), wk = 0.0046296 k( 260) = ( 0.7510518 -0.4312204 -0.3182701), wk = 0.0000000 k( 261) = ( -0.2489482 -0.4312204 -0.3182701), wk = 0.0000000 k( 262) = ( -0.2510518 0.4312204 0.3182701), wk = 0.0046296 k( 263) = ( 0.2489482 0.4312204 0.3182701), wk = 0.0000000 k( 264) = ( -0.7510518 0.4312204 0.3182701), wk = 0.0000000 k( 265) = ( 0.2510466 -0.4308843 -0.4774061), wk = 0.0046296 k( 266) = ( 0.7510466 -0.4308843 -0.4774061), wk = 0.0000000 k( 267) = ( -0.2489534 -0.4308843 -0.4774061), wk = 0.0000000 k( 268) = ( -0.2510466 0.4308843 0.4774061), wk = 0.0046296 k( 269) = ( 0.2489534 0.4308843 0.4774061), wk = 0.0000000 k( 270) = ( -0.7510466 0.4308843 0.4774061), wk = 0.0000000 k( 271) = ( 0.2510724 -0.4325648 0.3182741), wk = 0.0046296 k( 272) = ( 0.7510724 -0.4325648 0.3182741), wk = 0.0000000 k( 273) = ( -0.2489276 -0.4325648 0.3182741), wk = 0.0000000 k( 274) = ( -0.2510724 0.4325648 -0.3182741), wk = 0.0046296 k( 275) = ( 0.2489276 0.4325648 -0.3182741), wk = 0.0000000 k( 276) = ( -0.7510724 0.4325648 -0.3182741), wk = 0.0000000 k( 277) = ( 0.2510673 -0.4322287 0.1591380), wk = 0.0046296 k( 278) = ( 0.7510673 -0.4322287 0.1591380), wk = 0.0000000 k( 279) = ( -0.2489327 -0.4322287 0.1591380), wk = 0.0000000 k( 280) = ( -0.2510673 0.4322287 -0.1591380), wk = 0.0046296 k( 281) = ( 0.2489327 0.4322287 -0.1591380), wk = 0.0000000 k( 282) = ( -0.7510673 0.4322287 -0.1591380), wk = 0.0000000 k( 283) = ( 0.2510621 -0.4318926 0.0000020), wk = 0.0046296 k( 284) = ( 0.7510621 -0.4318926 0.0000020), wk = 0.0000000 k( 285) = ( -0.2489379 -0.4318926 0.0000020), wk = 0.0000000 k( 286) = ( -0.2510621 0.4318926 -0.0000020), wk = 0.0046296 k( 287) = ( 0.2489379 0.4318926 -0.0000020), wk = 0.0000000 k( 288) = ( -0.7510621 0.4318926 -0.0000020), wk = 0.0000000 k( 289) = ( 0.2515293 -0.6237813 -0.1595355), wk = 0.0046296 k( 290) = ( 0.7515293 -0.6237813 -0.1595355), wk = 0.0000000 k( 291) = ( -0.2484707 -0.6237813 -0.1595355), wk = 0.0000000 k( 292) = ( -0.2515293 0.6237813 0.1595355), wk = 0.0046296 k( 293) = ( 0.2484707 0.6237813 0.1595355), wk = 0.0000000 k( 294) = ( -0.7515293 0.6237813 0.1595355), wk = 0.0000000 k( 295) = ( 0.2515241 -0.6234452 -0.3186716), wk = 0.0046296 k( 296) = ( 0.7515241 -0.6234452 -0.3186716), wk = 0.0000000 k( 297) = ( -0.2484759 -0.6234452 -0.3186716), wk = 0.0000000 k( 298) = ( -0.2515241 0.6234452 0.3186716), wk = 0.0046296 k( 299) = ( 0.2484759 0.6234452 0.3186716), wk = 0.0000000 k( 300) = ( -0.7515241 0.6234452 0.3186716), wk = 0.0000000 k( 301) = ( 0.2515190 -0.6231091 -0.4778076), wk = 0.0046296 k( 302) = ( 0.7515190 -0.6231091 -0.4778076), wk = 0.0000000 k( 303) = ( -0.2484810 -0.6231091 -0.4778076), wk = 0.0000000 k( 304) = ( -0.2515190 0.6231091 0.4778076), wk = 0.0046296 k( 305) = ( 0.2484810 0.6231091 0.4778076), wk = 0.0000000 k( 306) = ( -0.7515190 0.6231091 0.4778076), wk = 0.0000000 k( 307) = ( 0.2515448 -0.6247895 0.3178726), wk = 0.0046296 k( 308) = ( 0.7515448 -0.6247895 0.3178726), wk = 0.0000000 k( 309) = ( -0.2484552 -0.6247895 0.3178726), wk = 0.0000000 k( 310) = ( -0.2515448 0.6247895 -0.3178726), wk = 0.0046296 k( 311) = ( 0.2484552 0.6247895 -0.3178726), wk = 0.0000000 k( 312) = ( -0.7515448 0.6247895 -0.3178726), wk = 0.0000000 k( 313) = ( 0.2515396 -0.6244534 0.1587366), wk = 0.0046296 k( 314) = ( 0.7515396 -0.6244534 0.1587366), wk = 0.0000000 k( 315) = ( -0.2484604 -0.6244534 0.1587366), wk = 0.0000000 k( 316) = ( -0.2515396 0.6244534 -0.1587366), wk = 0.0046296 k( 317) = ( 0.2484604 0.6244534 -0.1587366), wk = 0.0000000 k( 318) = ( -0.7515396 0.6244534 -0.1587366), wk = 0.0000000 k( 319) = ( 0.2515345 -0.6241173 -0.0003995), wk = 0.0046296 k( 320) = ( 0.7515345 -0.6241173 -0.0003995), wk = 0.0000000 k( 321) = ( -0.2484655 -0.6241173 -0.0003995), wk = 0.0000000 k( 322) = ( -0.2515345 0.6241173 0.0003995), wk = 0.0046296 k( 323) = ( 0.2484655 0.6241173 0.0003995), wk = 0.0000000 k( 324) = ( -0.7515345 0.6241173 0.0003995), wk = 0.0000000 k( 325) = ( 0.2491675 0.3373425 -0.1575282), wk = 0.0046296 k( 326) = ( 0.7491675 0.3373425 -0.1575282), wk = 0.0000000 k( 327) = ( -0.2508325 0.3373425 -0.1575282), wk = 0.0000000 k( 328) = ( -0.2491675 -0.3373425 0.1575282), wk = 0.0046296 k( 329) = ( 0.2508325 -0.3373425 0.1575282), wk = 0.0000000 k( 330) = ( -0.7491675 -0.3373425 0.1575282), wk = 0.0000000 k( 331) = ( 0.2491623 0.3376786 -0.3166642), wk = 0.0046296 k( 332) = ( 0.7491623 0.3376786 -0.3166642), wk = 0.0000000 k( 333) = ( -0.2508377 0.3376786 -0.3166642), wk = 0.0000000 k( 334) = ( -0.2491623 -0.3376786 0.3166642), wk = 0.0046296 k( 335) = ( 0.2508377 -0.3376786 0.3166642), wk = 0.0000000 k( 336) = ( -0.7491623 -0.3376786 0.3166642), wk = 0.0000000 k( 337) = ( 0.2491571 0.3380147 -0.4758002), wk = 0.0046296 k( 338) = ( 0.7491571 0.3380147 -0.4758002), wk = 0.0000000 k( 339) = ( -0.2508429 0.3380147 -0.4758002), wk = 0.0000000 k( 340) = ( -0.2491571 -0.3380147 0.4758002), wk = 0.0046296 k( 341) = ( 0.2508429 -0.3380147 0.4758002), wk = 0.0000000 k( 342) = ( -0.7491571 -0.3380147 0.4758002), wk = 0.0000000 k( 343) = ( 0.2491830 0.3363342 0.3198800), wk = 0.0046296 k( 344) = ( 0.7491830 0.3363342 0.3198800), wk = 0.0000000 k( 345) = ( -0.2508170 0.3363342 0.3198800), wk = 0.0000000 k( 346) = ( -0.2491830 -0.3363342 -0.3198800), wk = 0.0046296 k( 347) = ( 0.2508170 -0.3363342 -0.3198800), wk = 0.0000000 k( 348) = ( -0.7491830 -0.3363342 -0.3198800), wk = 0.0000000 k( 349) = ( 0.2491778 0.3366703 0.1607439), wk = 0.0046296 k( 350) = ( 0.7491778 0.3366703 0.1607439), wk = 0.0000000 k( 351) = ( -0.2508222 0.3366703 0.1607439), wk = 0.0000000 k( 352) = ( -0.2491778 -0.3366703 -0.1607439), wk = 0.0046296 k( 353) = ( 0.2508222 -0.3366703 -0.1607439), wk = 0.0000000 k( 354) = ( -0.7491778 -0.3366703 -0.1607439), wk = 0.0000000 k( 355) = ( 0.2491726 0.3370064 0.0016079), wk = 0.0046296 k( 356) = ( 0.7491726 0.3370064 0.0016079), wk = 0.0000000 k( 357) = ( -0.2508274 0.3370064 0.0016079), wk = 0.0000000 k( 358) = ( -0.2491726 -0.3370064 -0.0016079), wk = 0.0046296 k( 359) = ( 0.2508274 -0.3370064 -0.0016079), wk = 0.0000000 k( 360) = ( -0.7491726 -0.3370064 -0.0016079), wk = 0.0000000 k( 361) = ( 0.2496398 0.1451178 -0.1579296), wk = 0.0046296 k( 362) = ( 0.7496398 0.1451178 -0.1579296), wk = 0.0000000 k( 363) = ( -0.2503602 0.1451178 -0.1579296), wk = 0.0000000 k( 364) = ( -0.2496398 -0.1451178 0.1579296), wk = 0.0046296 k( 365) = ( 0.2503602 -0.1451178 0.1579296), wk = 0.0000000 k( 366) = ( -0.7496398 -0.1451178 0.1579296), wk = 0.0000000 k( 367) = ( 0.2496347 0.1454538 -0.3170657), wk = 0.0046296 k( 368) = ( 0.7496347 0.1454538 -0.3170657), wk = 0.0000000 k( 369) = ( -0.2503653 0.1454538 -0.3170657), wk = 0.0000000 k( 370) = ( -0.2496347 -0.1454538 0.3170657), wk = 0.0046296 k( 371) = ( 0.2503653 -0.1454538 0.3170657), wk = 0.0000000 k( 372) = ( -0.7496347 -0.1454538 0.3170657), wk = 0.0000000 k( 373) = ( 0.2496295 0.1457899 -0.4762017), wk = 0.0046296 k( 374) = ( 0.7496295 0.1457899 -0.4762017), wk = 0.0000000 k( 375) = ( -0.2503705 0.1457899 -0.4762017), wk = 0.0000000 k( 376) = ( -0.2496295 -0.1457899 0.4762017), wk = 0.0046296 k( 377) = ( 0.2503705 -0.1457899 0.4762017), wk = 0.0000000 k( 378) = ( -0.7496295 -0.1457899 0.4762017), wk = 0.0000000 k( 379) = ( 0.2496553 0.1441095 0.3194785), wk = 0.0046296 k( 380) = ( 0.7496553 0.1441095 0.3194785), wk = 0.0000000 k( 381) = ( -0.2503447 0.1441095 0.3194785), wk = 0.0000000 k( 382) = ( -0.2496553 -0.1441095 -0.3194785), wk = 0.0046296 k( 383) = ( 0.2503447 -0.1441095 -0.3194785), wk = 0.0000000 k( 384) = ( -0.7496553 -0.1441095 -0.3194785), wk = 0.0000000 k( 385) = ( 0.2496502 0.1444456 0.1603425), wk = 0.0046296 k( 386) = ( 0.7496502 0.1444456 0.1603425), wk = 0.0000000 k( 387) = ( -0.2503498 0.1444456 0.1603425), wk = 0.0000000 k( 388) = ( -0.2496502 -0.1444456 -0.1603425), wk = 0.0046296 k( 389) = ( 0.2503498 -0.1444456 -0.1603425), wk = 0.0000000 k( 390) = ( -0.7496502 -0.1444456 -0.1603425), wk = 0.0000000 k( 391) = ( 0.2496450 0.1447817 0.0012064), wk = 0.0046296 k( 392) = ( 0.7496450 0.1447817 0.0012064), wk = 0.0000000 k( 393) = ( -0.2503550 0.1447817 0.0012064), wk = 0.0000000 k( 394) = ( -0.2496450 -0.1447817 -0.0012064), wk = 0.0046296 k( 395) = ( 0.2503550 -0.1447817 -0.0012064), wk = 0.0000000 k( 396) = ( -0.7496450 -0.1447817 -0.0012064), wk = 0.0000000 k( 397) = ( 0.2501122 -0.0471070 -0.1583311), wk = 0.0046296 k( 398) = ( 0.7501122 -0.0471070 -0.1583311), wk = 0.0000000 k( 399) = ( -0.2498878 -0.0471070 -0.1583311), wk = 0.0000000 k( 400) = ( -0.2501122 0.0471070 0.1583311), wk = 0.0046296 k( 401) = ( 0.2498878 0.0471070 0.1583311), wk = 0.0000000 k( 402) = ( -0.7501122 0.0471070 0.1583311), wk = 0.0000000 k( 403) = ( 0.2501070 -0.0467709 -0.3174671), wk = 0.0046296 k( 404) = ( 0.7501070 -0.0467709 -0.3174671), wk = 0.0000000 k( 405) = ( -0.2498930 -0.0467709 -0.3174671), wk = 0.0000000 k( 406) = ( -0.2501070 0.0467709 0.3174671), wk = 0.0046296 k( 407) = ( 0.2498930 0.0467709 0.3174671), wk = 0.0000000 k( 408) = ( -0.7501070 0.0467709 0.3174671), wk = 0.0000000 k( 409) = ( 0.2501019 -0.0464348 -0.4766032), wk = 0.0046296 k( 410) = ( 0.7501019 -0.0464348 -0.4766032), wk = 0.0000000 k( 411) = ( -0.2498981 -0.0464348 -0.4766032), wk = 0.0000000 k( 412) = ( -0.2501019 0.0464348 0.4766032), wk = 0.0046296 k( 413) = ( 0.2498981 0.0464348 0.4766032), wk = 0.0000000 k( 414) = ( -0.7501019 0.0464348 0.4766032), wk = 0.0000000 k( 415) = ( 0.2501277 -0.0481153 0.3190770), wk = 0.0046296 k( 416) = ( 0.7501277 -0.0481153 0.3190770), wk = 0.0000000 k( 417) = ( -0.2498723 -0.0481153 0.3190770), wk = 0.0000000 k( 418) = ( -0.2501277 0.0481153 -0.3190770), wk = 0.0046296 k( 419) = ( 0.2498723 0.0481153 -0.3190770), wk = 0.0000000 k( 420) = ( -0.7501277 0.0481153 -0.3190770), wk = 0.0000000 k( 421) = ( 0.2501225 -0.0477792 0.1599410), wk = 0.0046296 k( 422) = ( 0.7501225 -0.0477792 0.1599410), wk = 0.0000000 k( 423) = ( -0.2498775 -0.0477792 0.1599410), wk = 0.0000000 k( 424) = ( -0.2501225 0.0477792 -0.1599410), wk = 0.0046296 k( 425) = ( 0.2498775 0.0477792 -0.1599410), wk = 0.0000000 k( 426) = ( -0.7501225 0.0477792 -0.1599410), wk = 0.0000000 k( 427) = ( 0.2501174 -0.0474431 0.0008049), wk = 0.0046296 k( 428) = ( 0.7501174 -0.0474431 0.0008049), wk = 0.0000000 k( 429) = ( -0.2498826 -0.0474431 0.0008049), wk = 0.0000000 k( 430) = ( -0.2501174 0.0474431 -0.0008049), wk = 0.0046296 k( 431) = ( 0.2498826 0.0474431 -0.0008049), wk = 0.0000000 k( 432) = ( -0.7501174 0.0474431 -0.0008049), wk = 0.0000000 k( 433) = ( 0.4174852 -0.3349234 -0.2113751), wk = 0.0046296 k( 434) = ( 0.9174852 -0.3349234 -0.2113751), wk = 0.0000000 k( 435) = ( -0.0825148 -0.3349234 -0.2113751), wk = 0.0000000 k( 436) = ( -0.4174852 0.3349234 0.2113751), wk = 0.0046296 k( 437) = ( 0.0825148 0.3349234 0.2113751), wk = 0.0000000 k( 438) = ( -0.9174852 0.3349234 0.2113751), wk = 0.0000000 k( 439) = ( 0.4174800 -0.3345873 -0.3705112), wk = 0.0046296 k( 440) = ( 0.9174800 -0.3345873 -0.3705112), wk = 0.0000000 k( 441) = ( -0.0825200 -0.3345873 -0.3705112), wk = 0.0000000 k( 442) = ( -0.4174800 0.3345873 0.3705112), wk = 0.0046296 k( 443) = ( 0.0825200 0.3345873 0.3705112), wk = 0.0000000 k( 444) = ( -0.9174800 0.3345873 0.3705112), wk = 0.0000000 k( 445) = ( 0.4174749 -0.3342512 -0.5296472), wk = 0.0046296 k( 446) = ( 0.9174749 -0.3342512 -0.5296472), wk = 0.0000000 k( 447) = ( -0.0825251 -0.3342512 -0.5296472), wk = 0.0000000 k( 448) = ( -0.4174749 0.3342512 0.5296472), wk = 0.0046296 k( 449) = ( 0.0825251 0.3342512 0.5296472), wk = 0.0000000 k( 450) = ( -0.9174749 0.3342512 0.5296472), wk = 0.0000000 k( 451) = ( 0.4175007 -0.3359316 0.2660330), wk = 0.0046296 k( 452) = ( 0.9175007 -0.3359316 0.2660330), wk = 0.0000000 k( 453) = ( -0.0824993 -0.3359316 0.2660330), wk = 0.0000000 k( 454) = ( -0.4175007 0.3359316 -0.2660330), wk = 0.0046296 k( 455) = ( 0.0824993 0.3359316 -0.2660330), wk = 0.0000000 k( 456) = ( -0.9175007 0.3359316 -0.2660330), wk = 0.0000000 k( 457) = ( 0.4174955 -0.3355955 0.1068970), wk = 0.0046296 k( 458) = ( 0.9174955 -0.3355955 0.1068970), wk = 0.0000000 k( 459) = ( -0.0825045 -0.3355955 0.1068970), wk = 0.0000000 k( 460) = ( -0.4174955 0.3355955 -0.1068970), wk = 0.0046296 k( 461) = ( 0.0825045 0.3355955 -0.1068970), wk = 0.0000000 k( 462) = ( -0.9174955 0.3355955 -0.1068970), wk = 0.0000000 k( 463) = ( 0.4174904 -0.3352595 -0.0522391), wk = 0.0046296 k( 464) = ( 0.9174904 -0.3352595 -0.0522391), wk = 0.0000000 k( 465) = ( -0.0825096 -0.3352595 -0.0522391), wk = 0.0000000 k( 466) = ( -0.4174904 0.3352595 0.0522391), wk = 0.0046296 k( 467) = ( 0.0825096 0.3352595 0.0522391), wk = 0.0000000 k( 468) = ( -0.9174904 0.3352595 0.0522391), wk = 0.0000000 k( 469) = ( 0.4179576 -0.5271481 -0.2117766), wk = 0.0046296 k( 470) = ( 0.9179576 -0.5271481 -0.2117766), wk = 0.0000000 k( 471) = ( -0.0820424 -0.5271481 -0.2117766), wk = 0.0000000 k( 472) = ( -0.4179576 0.5271481 0.2117766), wk = 0.0046296 k( 473) = ( 0.0820424 0.5271481 0.2117766), wk = 0.0000000 k( 474) = ( -0.9179576 0.5271481 0.2117766), wk = 0.0000000 k( 475) = ( 0.4179524 -0.5268120 -0.3709126), wk = 0.0046296 k( 476) = ( 0.9179524 -0.5268120 -0.3709126), wk = 0.0000000 k( 477) = ( -0.0820476 -0.5268120 -0.3709126), wk = 0.0000000 k( 478) = ( -0.4179524 0.5268120 0.3709126), wk = 0.0046296 k( 479) = ( 0.0820476 0.5268120 0.3709126), wk = 0.0000000 k( 480) = ( -0.9179524 0.5268120 0.3709126), wk = 0.0000000 k( 481) = ( 0.4179472 -0.5264759 -0.5300487), wk = 0.0046296 k( 482) = ( 0.9179472 -0.5264759 -0.5300487), wk = 0.0000000 k( 483) = ( -0.0820528 -0.5264759 -0.5300487), wk = 0.0000000 k( 484) = ( -0.4179472 0.5264759 0.5300487), wk = 0.0046296 k( 485) = ( 0.0820528 0.5264759 0.5300487), wk = 0.0000000 k( 486) = ( -0.9179472 0.5264759 0.5300487), wk = 0.0000000 k( 487) = ( 0.4179731 -0.5281564 0.2656315), wk = 0.0046296 k( 488) = ( 0.9179731 -0.5281564 0.2656315), wk = 0.0000000 k( 489) = ( -0.0820269 -0.5281564 0.2656315), wk = 0.0000000 k( 490) = ( -0.4179731 0.5281564 -0.2656315), wk = 0.0046296 k( 491) = ( 0.0820269 0.5281564 -0.2656315), wk = 0.0000000 k( 492) = ( -0.9179731 0.5281564 -0.2656315), wk = 0.0000000 k( 493) = ( 0.4179679 -0.5278203 0.1064955), wk = 0.0046296 k( 494) = ( 0.9179679 -0.5278203 0.1064955), wk = 0.0000000 k( 495) = ( -0.0820321 -0.5278203 0.1064955), wk = 0.0000000 k( 496) = ( -0.4179679 0.5278203 -0.1064955), wk = 0.0046296 k( 497) = ( 0.0820321 0.5278203 -0.1064955), wk = 0.0000000 k( 498) = ( -0.9179679 0.5278203 -0.1064955), wk = 0.0000000 k( 499) = ( 0.4179627 -0.5274842 -0.0526405), wk = 0.0046296 k( 500) = ( 0.9179627 -0.5274842 -0.0526405), wk = 0.0000000 k( 501) = ( -0.0820373 -0.5274842 -0.0526405), wk = 0.0000000 k( 502) = ( -0.4179627 0.5274842 0.0526405), wk = 0.0046296 k( 503) = ( 0.0820373 0.5274842 0.0526405), wk = 0.0000000 k( 504) = ( -0.9179627 0.5274842 0.0526405), wk = 0.0000000 k( 505) = ( 0.4184299 -0.7193729 -0.2121781), wk = 0.0046296 k( 506) = ( 0.9184299 -0.7193729 -0.2121781), wk = 0.0000000 k( 507) = ( -0.0815701 -0.7193729 -0.2121781), wk = 0.0000000 k( 508) = ( -0.4184299 0.7193729 0.2121781), wk = 0.0046296 k( 509) = ( 0.0815701 0.7193729 0.2121781), wk = 0.0000000 k( 510) = ( -0.9184299 0.7193729 0.2121781), wk = 0.0000000 k( 511) = ( 0.4184248 -0.7190368 -0.3713141), wk = 0.0046296 k( 512) = ( 0.9184248 -0.7190368 -0.3713141), wk = 0.0000000 k( 513) = ( -0.0815752 -0.7190368 -0.3713141), wk = 0.0000000 k( 514) = ( -0.4184248 0.7190368 0.3713141), wk = 0.0046296 k( 515) = ( 0.0815752 0.7190368 0.3713141), wk = 0.0000000 k( 516) = ( -0.9184248 0.7190368 0.3713141), wk = 0.0000000 k( 517) = ( 0.4184196 -0.7187007 -0.5304502), wk = 0.0046296 k( 518) = ( 0.9184196 -0.7187007 -0.5304502), wk = 0.0000000 k( 519) = ( -0.0815804 -0.7187007 -0.5304502), wk = 0.0000000 k( 520) = ( -0.4184196 0.7187007 0.5304502), wk = 0.0046296 k( 521) = ( 0.0815804 0.7187007 0.5304502), wk = 0.0000000 k( 522) = ( -0.9184196 0.7187007 0.5304502), wk = 0.0000000 k( 523) = ( 0.4184454 -0.7203811 0.2652301), wk = 0.0046296 k( 524) = ( 0.9184454 -0.7203811 0.2652301), wk = 0.0000000 k( 525) = ( -0.0815546 -0.7203811 0.2652301), wk = 0.0000000 k( 526) = ( -0.4184454 0.7203811 -0.2652301), wk = 0.0046296 k( 527) = ( 0.0815546 0.7203811 -0.2652301), wk = 0.0000000 k( 528) = ( -0.9184454 0.7203811 -0.2652301), wk = 0.0000000 k( 529) = ( 0.4184403 -0.7200450 0.1060940), wk = 0.0046296 k( 530) = ( 0.9184403 -0.7200450 0.1060940), wk = 0.0000000 k( 531) = ( -0.0815597 -0.7200450 0.1060940), wk = 0.0000000 k( 532) = ( -0.4184403 0.7200450 -0.1060940), wk = 0.0046296 k( 533) = ( 0.0815597 0.7200450 -0.1060940), wk = 0.0000000 k( 534) = ( -0.9184403 0.7200450 -0.1060940), wk = 0.0000000 k( 535) = ( 0.4184351 -0.7197090 -0.0530420), wk = 0.0046296 k( 536) = ( 0.9184351 -0.7197090 -0.0530420), wk = 0.0000000 k( 537) = ( -0.0815649 -0.7197090 -0.0530420), wk = 0.0000000 k( 538) = ( -0.4184351 0.7197090 0.0530420), wk = 0.0046296 k( 539) = ( 0.0815649 0.7197090 0.0530420), wk = 0.0000000 k( 540) = ( -0.9184351 0.7197090 0.0530420), wk = 0.0000000 k( 541) = ( 0.4160681 0.2417509 -0.2101707), wk = 0.0046296 k( 542) = ( 0.9160681 0.2417509 -0.2101707), wk = 0.0000000 k( 543) = ( -0.0839319 0.2417509 -0.2101707), wk = 0.0000000 k( 544) = ( -0.4160681 -0.2417509 0.2101707), wk = 0.0046296 k( 545) = ( 0.0839319 -0.2417509 0.2101707), wk = 0.0000000 k( 546) = ( -0.9160681 -0.2417509 0.2101707), wk = 0.0000000 k( 547) = ( 0.4160629 0.2420870 -0.3693067), wk = 0.0046296 k( 548) = ( 0.9160629 0.2420870 -0.3693067), wk = 0.0000000 k( 549) = ( -0.0839371 0.2420870 -0.3693067), wk = 0.0000000 k( 550) = ( -0.4160629 -0.2420870 0.3693067), wk = 0.0046296 k( 551) = ( 0.0839371 -0.2420870 0.3693067), wk = 0.0000000 k( 552) = ( -0.9160629 -0.2420870 0.3693067), wk = 0.0000000 k( 553) = ( 0.4160578 0.2424231 -0.5284428), wk = 0.0046296 k( 554) = ( 0.9160578 0.2424231 -0.5284428), wk = 0.0000000 k( 555) = ( -0.0839422 0.2424231 -0.5284428), wk = 0.0000000 k( 556) = ( -0.4160578 -0.2424231 0.5284428), wk = 0.0046296 k( 557) = ( 0.0839422 -0.2424231 0.5284428), wk = 0.0000000 k( 558) = ( -0.9160578 -0.2424231 0.5284428), wk = 0.0000000 k( 559) = ( 0.4160836 0.2407426 0.2672374), wk = 0.0046296 k( 560) = ( 0.9160836 0.2407426 0.2672374), wk = 0.0000000 k( 561) = ( -0.0839164 0.2407426 0.2672374), wk = 0.0000000 k( 562) = ( -0.4160836 -0.2407426 -0.2672374), wk = 0.0046296 k( 563) = ( 0.0839164 -0.2407426 -0.2672374), wk = 0.0000000 k( 564) = ( -0.9160836 -0.2407426 -0.2672374), wk = 0.0000000 k( 565) = ( 0.4160784 0.2410787 0.1081014), wk = 0.0046296 k( 566) = ( 0.9160784 0.2410787 0.1081014), wk = 0.0000000 k( 567) = ( -0.0839216 0.2410787 0.1081014), wk = 0.0000000 k( 568) = ( -0.4160784 -0.2410787 -0.1081014), wk = 0.0046296 k( 569) = ( 0.0839216 -0.2410787 -0.1081014), wk = 0.0000000 k( 570) = ( -0.9160784 -0.2410787 -0.1081014), wk = 0.0000000 k( 571) = ( 0.4160733 0.2414148 -0.0510347), wk = 0.0046296 k( 572) = ( 0.9160733 0.2414148 -0.0510347), wk = 0.0000000 k( 573) = ( -0.0839267 0.2414148 -0.0510347), wk = 0.0000000 k( 574) = ( -0.4160733 -0.2414148 0.0510347), wk = 0.0046296 k( 575) = ( 0.0839267 -0.2414148 0.0510347), wk = 0.0000000 k( 576) = ( -0.9160733 -0.2414148 0.0510347), wk = 0.0000000 k( 577) = ( 0.4165405 0.0495261 -0.2105722), wk = 0.0046296 k( 578) = ( 0.9165405 0.0495261 -0.2105722), wk = 0.0000000 k( 579) = ( -0.0834595 0.0495261 -0.2105722), wk = 0.0000000 k( 580) = ( -0.4165405 -0.0495261 0.2105722), wk = 0.0046296 k( 581) = ( 0.0834595 -0.0495261 0.2105722), wk = 0.0000000 k( 582) = ( -0.9165405 -0.0495261 0.2105722), wk = 0.0000000 k( 583) = ( 0.4165353 0.0498622 -0.3697082), wk = 0.0046296 k( 584) = ( 0.9165353 0.0498622 -0.3697082), wk = 0.0000000 k( 585) = ( -0.0834647 0.0498622 -0.3697082), wk = 0.0000000 k( 586) = ( -0.4165353 -0.0498622 0.3697082), wk = 0.0046296 k( 587) = ( 0.0834647 -0.0498622 0.3697082), wk = 0.0000000 k( 588) = ( -0.9165353 -0.0498622 0.3697082), wk = 0.0000000 k( 589) = ( 0.4165301 0.0501983 -0.5288443), wk = 0.0046296 k( 590) = ( 0.9165301 0.0501983 -0.5288443), wk = 0.0000000 k( 591) = ( -0.0834699 0.0501983 -0.5288443), wk = 0.0000000 k( 592) = ( -0.4165301 -0.0501983 0.5288443), wk = 0.0046296 k( 593) = ( 0.0834699 -0.0501983 0.5288443), wk = 0.0000000 k( 594) = ( -0.9165301 -0.0501983 0.5288443), wk = 0.0000000 k( 595) = ( 0.4165560 0.0485179 0.2668360), wk = 0.0046296 k( 596) = ( 0.9165560 0.0485179 0.2668360), wk = 0.0000000 k( 597) = ( -0.0834440 0.0485179 0.2668360), wk = 0.0000000 k( 598) = ( -0.4165560 -0.0485179 -0.2668360), wk = 0.0046296 k( 599) = ( 0.0834440 -0.0485179 -0.2668360), wk = 0.0000000 k( 600) = ( -0.9165560 -0.0485179 -0.2668360), wk = 0.0000000 k( 601) = ( 0.4165508 0.0488540 0.1076999), wk = 0.0046296 k( 602) = ( 0.9165508 0.0488540 0.1076999), wk = 0.0000000 k( 603) = ( -0.0834492 0.0488540 0.1076999), wk = 0.0000000 k( 604) = ( -0.4165508 -0.0488540 -0.1076999), wk = 0.0046296 k( 605) = ( 0.0834492 -0.0488540 -0.1076999), wk = 0.0000000 k( 606) = ( -0.9165508 -0.0488540 -0.1076999), wk = 0.0000000 k( 607) = ( 0.4165456 0.0491901 -0.0514361), wk = 0.0046296 k( 608) = ( 0.9165456 0.0491901 -0.0514361), wk = 0.0000000 k( 609) = ( -0.0834544 0.0491901 -0.0514361), wk = 0.0000000 k( 610) = ( -0.4165456 -0.0491901 0.0514361), wk = 0.0046296 k( 611) = ( 0.0834544 -0.0491901 0.0514361), wk = 0.0000000 k( 612) = ( -0.9165456 -0.0491901 0.0514361), wk = 0.0000000 k( 613) = ( 0.4170128 -0.1426986 -0.2109736), wk = 0.0046296 k( 614) = ( 0.9170128 -0.1426986 -0.2109736), wk = 0.0000000 k( 615) = ( -0.0829872 -0.1426986 -0.2109736), wk = 0.0000000 k( 616) = ( -0.4170128 0.1426986 0.2109736), wk = 0.0046296 k( 617) = ( 0.0829872 0.1426986 0.2109736), wk = 0.0000000 k( 618) = ( -0.9170128 0.1426986 0.2109736), wk = 0.0000000 k( 619) = ( 0.4170077 -0.1423625 -0.3701097), wk = 0.0046296 k( 620) = ( 0.9170077 -0.1423625 -0.3701097), wk = 0.0000000 k( 621) = ( -0.0829923 -0.1423625 -0.3701097), wk = 0.0000000 k( 622) = ( -0.4170077 0.1423625 0.3701097), wk = 0.0046296 k( 623) = ( 0.0829923 0.1423625 0.3701097), wk = 0.0000000 k( 624) = ( -0.9170077 0.1423625 0.3701097), wk = 0.0000000 k( 625) = ( 0.4170025 -0.1420264 -0.5292457), wk = 0.0046296 k( 626) = ( 0.9170025 -0.1420264 -0.5292457), wk = 0.0000000 k( 627) = ( -0.0829975 -0.1420264 -0.5292457), wk = 0.0000000 k( 628) = ( -0.4170025 0.1420264 0.5292457), wk = 0.0046296 k( 629) = ( 0.0829975 0.1420264 0.5292457), wk = 0.0000000 k( 630) = ( -0.9170025 0.1420264 0.5292457), wk = 0.0000000 k( 631) = ( 0.4170283 -0.1437069 0.2664345), wk = 0.0046296 k( 632) = ( 0.9170283 -0.1437069 0.2664345), wk = 0.0000000 k( 633) = ( -0.0829717 -0.1437069 0.2664345), wk = 0.0000000 k( 634) = ( -0.4170283 0.1437069 -0.2664345), wk = 0.0046296 k( 635) = ( 0.0829717 0.1437069 -0.2664345), wk = 0.0000000 k( 636) = ( -0.9170283 0.1437069 -0.2664345), wk = 0.0000000 k( 637) = ( 0.4170232 -0.1433708 0.1072984), wk = 0.0046296 k( 638) = ( 0.9170232 -0.1433708 0.1072984), wk = 0.0000000 k( 639) = ( -0.0829768 -0.1433708 0.1072984), wk = 0.0000000 k( 640) = ( -0.4170232 0.1433708 -0.1072984), wk = 0.0046296 k( 641) = ( 0.0829768 0.1433708 -0.1072984), wk = 0.0000000 k( 642) = ( -0.9170232 0.1433708 -0.1072984), wk = 0.0000000 k( 643) = ( 0.4170180 -0.1430347 -0.0518376), wk = 0.0046296 k( 644) = ( 0.9170180 -0.1430347 -0.0518376), wk = 0.0000000 k( 645) = ( -0.0829820 -0.1430347 -0.0518376), wk = 0.0000000 k( 646) = ( -0.4170180 0.1430347 0.0518376), wk = 0.0046296 k( 647) = ( 0.0829820 0.1430347 0.0518376), wk = 0.0000000 k( 648) = ( -0.9170180 0.1430347 0.0518376), wk = 0.0000000 PseudoPot. # 1 for Mn read from file: ./Mn.upf MD5 check sum: 9aa759700ec57c76f31501e1d7bd4638 Pseudo is Norm-conserving + core correction, Zval = 15.0 Generated using ONCVPSP code by D. R. Hamann Using radial grid of 1430 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 2 l(6) = 2 PseudoPot. # 2 for Mn read from file: ./Mn.upf MD5 check sum: 9aa759700ec57c76f31501e1d7bd4638 Pseudo is Norm-conserving + core correction, Zval = 15.0 Generated using ONCVPSP code by D. R. Hamann Using radial grid of 1430 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 2 l(6) = 2 PseudoPot. # 3 for P read from file: ./P.upf MD5 check sum: d3056591dd67dc08dea8f764e3c1454e Pseudo is Norm-conserving + core correction, Zval = 5.0 Generated using ONCVPSP code by D. R. Hamann Using radial grid of 1298 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 2 l(6) = 2 PseudoPot. # 4 for S read from file: ./S.upf MD5 check sum: cfbafe2d9696d3a6dba9d1b50753f7f7 Pseudo is Norm-conserving + core correction, Zval = 6.0 Generated using ONCVPSP code by D. R. Hamann Using radial grid of 1132 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 2 l(6) = 2 magnon calculation, n_ipol = 3 n_op = 3 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% Error in routine diropn (20): error opening ./tmp/tmp_magnons/MnPS3.V0psi.138 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% stopping ... %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% Error in routine diropn (20): error opening ./tmp/tmp_magnons/MnPS3.V0psi.136 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% stopping ... %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% Error in routine diropn (20): error opening ./tmp/tmp_magnons/MnPS3.V0psi.147 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% stopping ... %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% Error in routine diropn (20): error opening ./tmp/tmp_magnons/MnPS3.V0psi.135 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% stopping ... %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% Error in routine diropn (20): error opening ./tmp/tmp_magnons/MnPS3.V0psi.139 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% stopping ... %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% Error in routine diropn (20): error opening ./tmp/tmp_magnons/MnPS3.V0psi.140 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% stopping ... %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% Error in routine diropn (20): error opening ./tmp/tmp_magnons/MnPS3.V0psi.145 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% stopping ... %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% Error in routine diropn (20): error opening ./tmp/tmp_magnons/MnPS3.V0psi.153 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% stopping ... %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% Error in routine diropn (20): error opening ./tmp/tmp_magnons/MnPS3.V0psi.160 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% stopping ... %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% Error in routine diropn (20): error opening ./tmp/tmp_magnons/MnPS3.V0psi.164 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% stopping ... %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% Error in routine diropn (20): error opening ./tmp/tmp_magnons/MnPS3.V0psi.161 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% stopping ... %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% Error in routine diropn (20): error opening ./tmp/tmp_magnons/MnPS3.V0psi.158 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% stopping ... %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% Error in routine diropn (20): error opening ./tmp/tmp_magnons/MnPS3.V0psi.162 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% stopping ... %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% Error in routine diropn (20): error opening ./tmp/tmp_magnons/MnPS3.V0psi.154 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% stopping ... %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% Error in routine diropn (20): error opening ./tmp/tmp_magnons/MnPS3.V0psi.155 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% stopping ... %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% Error in routine diropn (20): error opening ./tmp/tmp_magnons/MnPS3.V0psi.156 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% stopping ... %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% Error in routine diropn (20): error opening ./tmp/tmp_magnons/MnPS3.V0psi.151 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% stopping ... %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% Error in routine diropn (20): error opening ./tmp/tmp_magnons/MnPS3.V0psi.150 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% stopping ... %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% Error in routine diropn (20): error opening ./tmp/tmp_magnons/MnPS3.V0psi.163 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% stopping ... %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% Error in routine diropn (20): error opening ./tmp/tmp_magnons/MnPS3.V0psi.152 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% stopping ... %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% Error in routine diropn (20): error opening ./tmp/tmp_magnons/MnPS3.V0psi.159 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% stopping ... %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% Error in routine diropn (20): error opening ./tmp/tmp_magnons/MnPS3.V0psi.149 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% stopping ... %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% Error in routine diropn (20): error opening ./tmp/tmp_magnons/MnPS3.V0psi.157 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% stopping ... TACC: MPI job exited with code: 1 TACC: Shutdown complete. Exiting.