Program PHONON v.6.4.1 starts on 18Dec2020 at 20:19:53 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); 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 96 processors MPI processes distributed on 8 nodes R & G space division: proc/nbgrp/npool/nimage = 96 Reading data from directory: ./1144.save/ IMPORTANT: XC functional enforced from input : Exchange-correlation = PBE ( 1 4 3 4 0 0) Any further DFT definition will be discarded Please, verify this is what you really want file Ca.pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3S renormalized file K.pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3S renormalized Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 21 10 3 2383 832 123 Max 22 11 4 2400 859 141 Sum 2029 1009 293 229301 80959 12845 Check: negative core charge= -0.000025 3 / 3 q-points for this run, from 1 to 3: N xq(1) xq(2) xq(3) 1 0.000000000 0.000000000 0.000000000 2 0.000000000 0.333333333 0.000000000 3 0.333333333 0.333333333 0.000000000 Calculation of q = 0.3333333 0.3333333 0.0000000 Subspace diagonalization in iterative solution of the eigenvalue problem: a serial algorithm will be used Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 21 10 3 2383 832 143 Max 22 11 4 2400 859 160 Sum 2029 1009 325 229301 80959 14367 Title: Phonons on a grid for CaK bravais-lattice index = 6 lattice parameter (alat) = 7.3050 a.u. unit-cell volume = 1292.2430 (a.u.)^3 number of atoms/cell = 10 number of atomic types = 4 number of electrons = 103.00 number of Kohn-Sham states= 62 kinetic-energy cutoff = 60.0000 Ry charge density cutoff = 480.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) celldm(1)= 7.305000 celldm(2)= 0.000000 celldm(3)= 3.315000 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 3.315000 ) 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 0.301659 ) PseudoPot. # 1 for Fe read from file: /home2/soumya/qe-6.3/PSEUDO/QE_Special/Psilibrary-USPP-PBE/Fe.pbe-spn-rrkjus_psl.0.2.1.UPF MD5 check sum: 78e07f31ef9302e9752e559d8c33fa4d Pseudo is Ultrasoft + core correction, Zval = 16.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9415 Using radial grid of 1191 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 2 l(6) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for As read from file: /home2/soumya/qe-6.3/PSEUDO/QE_Special/Psilibrary-USPP-PBE/As.pbe-n-rrkjus_psl.0.2.UPF MD5 check sum: aa4c6dc455d24fe24be79d402e043475 Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9415 Using radial grid of 1209 points, 4 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for Ca read from file: /home2/soumya/qe-6.3/PSEUDO/QE_Special/Psilibrary-USPP-PBE/Ca.pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: be476cbee6758b394af5fd17922f3fca Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.6.2.2 Using radial grid of 1169 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 2 l(6) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 4 for K read from file: /home2/soumya/qe-6.3/PSEUDO/QE_Special/Psilibrary-USPP-PBE/K.pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 897b700350bb708b0563e904352feb48 Pseudo is Ultrasoft + core correction, Zval = 9.0 Generated using "atomic" code by A. Dal Corso v.6.2.2 Using radial grid of 1165 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 2 l(6) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Fe 16.00 55.84500 Fe( 1.00) As 5.00 74.92200 As( 1.00) Ca 10.00 40.07800 Ca( 1.00) K 9.00 39.09800 K ( 1.00) 16 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 [1,1,0] cryst. s( 2) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 -1 ) cart. s( 2) = ( 0.0000000 1.0000000 0.0000000 ) ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 3 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s( 3) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 -1 ) cart. s( 3) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 4 inv. 180 deg rotation - cart. axis [1,-1,0] cryst. s( 4) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s( 4) = ( 0.0000000 1.0000000 0.0000000 ) ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 5 180 deg rotation - cart. axis [0,0,1] cryst. s( 5) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 1 ) cart. s( 5) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 6 180 deg rotation - cart. axis [1,-1,0] cryst. s( 6) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s( 6) = ( 0.0000000 -1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 7 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 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 ) isym = 9 inversion cryst. s( 9) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 9) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 10 180 deg rotation - cart. axis [0,1,0] cryst. s(10) = ( -1 0 0 ) ( 0 1 0 ) ( 0 0 -1 ) cart. s(10) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 11 inv. 180 deg rotation - cart. axis [0,1,0] cryst. s(11) = ( 1 0 0 ) ( 0 -1 0 ) ( 0 0 1 ) cart. s(11) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 12 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s(12) = ( -1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s(12) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 13 inv. 180 deg rotation - cart. axis [1,1,0] cryst. s(13) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 1 ) cart. s(13) = ( 0.0000000 -1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 14 180 deg rotation - cart. axis [1,0,0] cryst. s(14) = ( 1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s(14) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 15 inv. 90 deg rotation - cart. axis [0,0,-1] cryst. s(15) = ( 0 1 0 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s(15) = ( 0.0000000 -1.0000000 0.0000000 ) ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 16 inv. 90 deg rotation - cart. axis [0,0,1] cryst. s(16) = ( 0 -1 0 ) ( 1 0 0 ) ( 0 0 -1 ) cart. s(16) = ( 0.0000000 1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) point group D_4h(4/mmm) there are 10 classes the character table: E 2C4 C2 2C2' 2C2'' i 2S4 s_h 2s_v 2s_d A_1g 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 A_2g 1.00 1.00 1.00 -1.00 -1.00 1.00 1.00 1.00 -1.00 -1.00 B_1g 1.00 -1.00 1.00 1.00 -1.00 1.00 -1.00 1.00 1.00 -1.00 B_2g 1.00 -1.00 1.00 -1.00 1.00 1.00 -1.00 1.00 -1.00 1.00 E_g 2.00 0.00 -2.00 0.00 0.00 2.00 0.00 -2.00 0.00 0.00 A_1u 1.00 1.00 1.00 1.00 1.00 -1.00 -1.00 -1.00 -1.00 -1.00 A_2u 1.00 1.00 1.00 -1.00 -1.00 -1.00 -1.00 -1.00 1.00 1.00 B_1u 1.00 -1.00 1.00 1.00 -1.00 -1.00 1.00 -1.00 -1.00 1.00 B_2u 1.00 -1.00 1.00 -1.00 1.00 -1.00 1.00 -1.00 1.00 -1.00 E_u 2.00 0.00 -2.00 0.00 0.00 -2.00 0.00 2.00 0.00 0.00 the symmetry operations in each class and the name of the first element: E 1 identity 2C4 7 8 90 deg rotation - cart. axis [0,0,-1] C2 5 180 deg rotation - cart. axis [0,0,1] 2C2' 10 14 180 deg rotation - cart. axis [0,1,0] 2C2'' 2 6 180 deg rotation - cart. axis [1,1,0] i 9 inversion 2S4 15 16 inv. 90 deg rotation - cart. axis [0,0,-1] s_h 3 inv. 180 deg rotation - cart. axis [0,0,1] 2s_v 11 12 inv. 180 deg rotation - cart. axis [0,1,0] 2s_d 4 13 inv. 180 deg rotation - cart. axis [1,-1,0] Cartesian axes site n. atom positions (alat units) 1 Fe tau( 1) = ( 0.0000000 0.5000000 0.7445490 ) 2 Fe tau( 2) = ( -0.5000000 0.0000000 0.7445490 ) 3 Fe tau( 3) = ( 0.0000000 0.5000000 -0.7445490 ) 4 Fe tau( 4) = ( 0.5000000 0.0000000 -0.7445490 ) 5 As tau( 5) = ( 0.0000000 0.0000000 1.1058840 ) 6 As tau( 6) = ( 0.0000000 0.0000000 -1.1058840 ) 7 As tau( 7) = ( 0.5000000 0.5000000 0.3954795 ) 8 As tau( 8) = ( -0.5000000 0.5000000 -0.3954795 ) 9 Ca tau( 9) = ( 0.0000000 0.0000000 0.0000000 ) 10 K tau( 10) = ( 0.5000000 0.5000000 1.6575000 ) Crystallographic axes site n. atom positions (cryst. coord.) 1 Fe tau( 1) = ( 0.0000000 0.5000000 0.2246000 ) 2 Fe tau( 2) = ( -0.5000000 0.0000000 0.2246000 ) 3 Fe tau( 3) = ( 0.0000000 0.5000000 -0.2246000 ) 4 Fe tau( 4) = ( 0.5000000 0.0000000 -0.2246000 ) 5 As tau( 5) = ( 0.0000000 0.0000000 0.3336000 ) 6 As tau( 6) = ( 0.0000000 0.0000000 -0.3336000 ) 7 As tau( 7) = ( 0.5000000 0.5000000 0.1193000 ) 8 As tau( 8) = ( -0.5000000 0.5000000 -0.1193000 ) 9 Ca tau( 9) = ( 0.0000000 0.0000000 0.0000000 ) 10 K tau( 10) = ( 0.5000000 0.5000000 0.5000000 ) number of k points= 1368 gaussian smearing, width (Ry)= 0.0100 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0010288 k( 2) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0000000 ... cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0010288 k( 2) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0000000 ... Dense grid: 229301 G-vectors FFT dimensions: ( 54, 54, 180) Smooth grid: 80959 G-vectors FFT dimensions: ( 40, 40, 120) Dynamical RAM for wfc: 0.10 MB Dynamical RAM for wfc (w. buffer): 0.10 MB Dynamical RAM for str. fact: 0.15 MB Dynamical RAM for local pot: 0.04 MB Dynamical RAM for nlocal pot: 0.22 MB Dynamical RAM for qrad: 8.32 MB Dynamical RAM for rho,v,vnew: 0.24 MB Dynamical RAM for G-vectors: 0.14 MB Dynamical RAM for h,s,v(r/c): 2.82 MB Dynamical RAM for : 0.13 MB Dynamical RAM for psi: 0.40 MB Dynamical RAM for hpsi: 0.40 MB Dynamical RAM for spsi: 0.40 MB Dynamical RAM for wfcinit/wfcrot: 0.43 MB Dynamical RAM for addusdens: 6.92 MB Estimated static dynamical RAM per process > 9.62 MB Estimated max dynamical RAM per process > 16.54 MB Estimated total dynamical RAM > 1.55 GB Check: negative core charge= -0.000025 The potential is recalculated from file : ./_ph0/1144.q_3/1144.save/charge-density Starting wfcs are 84 atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 6.2 secs Computing kpt #: 2 total cpu time spent up to now is 7.8 secs ... Computing kpt #: 1368 total cpu time spent up to now is 2399.8 secs ethr = 9.71E-12, avg # of iterations = 43.0 total cpu time spent up to now is 2399.8 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 10039 PWs) bands (ev): -76.8718 -76.8717 -76.8532 -76.8532 -43.0445 -43.0445 -43.0444 -43.0444 -42.9455 -42.9455 -42.9454 -42.9454 -42.8840 -42.8838 -42.8621 -42.8621 -31.7130 -21.1450 -12.7389 -12.7389 -12.6826 -4.6785 -4.5788 -4.5788 -2.8738 -2.2540 -1.4490 -0.9733 4.0977 5.4067 5.8154 6.2171 6.4180 6.4180 6.4742 6.4742 7.4638 7.4671 7.5362 7.5362 7.5937 7.5937 8.7816 8.8020 9.0657 9.4319 9.7918 9.7941 9.8717 9.8919 9.8919 9.9482 9.9482 10.4562 10.4562 10.8400 12.1325 12.1325 12.3154 12.3154 12.3668 12.3979 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 0.9757 0.0384 0.0364 0.0047 0.0025 0.0025 0.0003 0.0003 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 ...... k =-0.1111 0.8333-0.1508 ( 10126 PWs) bands (ev): -76.8702 -76.8701 -76.8550 -76.8550 -43.0467 -43.0467 -43.0274 -43.0274 -42.9636 -42.9635 -42.9441 -42.9441 -42.8820 -42.8819 -42.8642 -42.8642 -31.7108 -21.1387 -12.7657 -12.7486 -12.6762 -4.6498 -4.6484 -4.6040 -2.6080 -2.0803 -1.1922 -1.0222 4.4072 5.4576 5.5889 6.1245 6.2605 6.3032 6.3951 6.4749 6.9169 6.9695 7.3465 7.4887 7.6446 7.6448 8.7079 8.9587 9.0070 9.1385 9.4213 9.5626 9.5790 9.5894 9.5925 9.6230 10.4139 10.6465 10.7210 10.9149 11.1306 11.3984 11.4968 12.3387 12.3486 13.0025 occupation numbers 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 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 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 9.6216 ev Writing output data file 1144.save/ Restart in Phonon calculation Phonons on a grid for CaK bravais-lattice index = 6 lattice parameter (alat) = 7.3050 a.u. unit-cell volume = 1292.2430 (a.u.)^3 number of atoms/cell = 10 number of atomic types = 4 kinetic-energy cut-off = 60.0000 Ry charge density cut-off = 480.0000 Ry convergence threshold = 1.0E-14 beta = 0.0500 number of iterations used = 4 Exchange-correlation = PBE ( 1 4 3 4 0 0) celldm(1)= 7.30500 celldm(2)= 0.00000 celldm(3)= 3.31500 celldm(4)= 0.00000 celldm(5)= 0.00000 celldm(6)= 0.00000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.0000 0.0000 0.0000 ) a(2) = ( 0.0000 1.0000 0.0000 ) a(3) = ( 0.0000 0.0000 3.3150 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.0000 0.0000 0.0000 ) b(2) = ( 0.0000 1.0000 0.0000 ) b(3) = ( 0.0000 0.0000 0.3017 ) Atoms inside the unit cell: Cartesian axes site n. atom mass positions (alat units) 1 Fe 55.8450 tau( 1) = ( 0.00000 0.50000 0.74455 ) 2 Fe 55.8450 tau( 2) = ( -0.50000 0.00000 0.74455 ) 3 Fe 55.8450 tau( 3) = ( 0.00000 0.50000 -0.74455 ) 4 Fe 55.8450 tau( 4) = ( 0.50000 0.00000 -0.74455 ) 5 As 74.9220 tau( 5) = ( 0.00000 0.00000 1.10588 ) 6 As 74.9220 tau( 6) = ( 0.00000 0.00000 -1.10588 ) 7 As 74.9220 tau( 7) = ( 0.50000 0.50000 0.39548 ) 8 As 74.9220 tau( 8) = ( -0.50000 0.50000 -0.39548 ) 9 Ca 40.0780 tau( 9) = ( 0.00000 0.00000 0.00000 ) 10 K 39.0980 tau( 10) = ( 0.50000 0.50000 1.65750 ) Computing dynamical matrix for q = ( 0.3333333 0.3333333 0.0000000 ) 4 Sym.Ops. (no q -> -q+G ) 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 [1,1,0] cryst. s( 2) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 -1 ) cart. s( 2) = ( 0.0000000 1.0000000 0.0000000 ) ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 3 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s( 3) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 -1 ) cart. s( 3) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 4 inv. 180 deg rotation - cart. axis [1,-1,0] cryst. s( 4) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s( 4) = ( 0.0000000 1.0000000 0.0000000 ) ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) G cutoff = 648.8166 ( 2388 G-vectors) FFT grid: ( 54, 54,180) G cutoff = 324.4083 ( 838 G-vectors) smooth grid: ( 40, 40,120) number of k points= 1368 gaussian smearing, width (Ry)= 0.0100 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0010288 ... cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0010288 .... PseudoPot. # 1 for Fe read from file: /home2/soumya/qe-6.3/PSEUDO/QE_Special/Psilibrary-USPP-PBE/Fe.pbe-spn-rrkjus_psl.0.2.1.UPF MD5 check sum: 78e07f31ef9302e9752e559d8c33fa4d Pseudo is Ultrasoft + core correction, Zval = 16.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9415 Using radial grid of 1191 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 2 l(6) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for As read from file: /home2/soumya/qe-6.3/PSEUDO/QE_Special/Psilibrary-USPP-PBE/As.pbe-n-rrkjus_psl.0.2.UPF MD5 check sum: aa4c6dc455d24fe24be79d402e043475 Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9415 Using radial grid of 1209 points, 4 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for Ca read from file: /home2/soumya/qe-6.3/PSEUDO/QE_Special/Psilibrary-USPP-PBE/Ca.pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: be476cbee6758b394af5fd17922f3fca Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.6.2.2 Using radial grid of 1169 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 2 l(6) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 4 for K read from file: /home2/soumya/qe-6.3/PSEUDO/QE_Special/Psilibrary-USPP-PBE/K.pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 897b700350bb708b0563e904352feb48 Pseudo is Ultrasoft + core correction, Zval = 9.0 Generated using "atomic" code by A. Dal Corso v.6.2.2 Using radial grid of 1165 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 2 l(6) = 2 Q(r) pseudized with 0 coefficients point group C_2v (mm2) there are 4 classes the character table: E C2 s_v s_v' A_1 1.00 1.00 1.00 1.00 A_2 1.00 1.00 -1.00 -1.00 B_1 1.00 -1.00 1.00 -1.00 B_2 1.00 -1.00 -1.00 1.00 the symmetry operations in each class and the name of the first element: E 1 identity C2 2 180 deg rotation - cart. axis [1,1,0] s_v 3 inv. 180 deg rotation - cart. axis [0,0,1] s_v' 4 inv. 180 deg rotation - cart. axis [1,-1,0] Atomic displacements: There are 30 irreducible representations Representation 1 1 modes -A_1 D_1 S_1 To be done Irreps are as follows: mode # 1 ( -0.14905 0.00000 ) ( -0.45326 0.12946 ) ( -0.02550 -0.07022 ) ( 0.33875 0.32780 ) ( 0.07453 0.12908 ) ( -0.04806 0.05720 ) ( -0.14905 -0.00000 ) ( -0.45326 0.12946 ) ( 0.02550 0.07022 ) ( -0.45326 0.12946 ) ( -0.14905 -0.00000 ) ( 0.02550 0.07022 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) Representation 2 1 modes -A_1 D_1 S_1 To be done Irreps are as follows: mode # 2 ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( -0.09041 0.00000 ) ( -0.09041 0.00000 ) ( 0.42720 0.54878 ) ( 0.04520 0.07830 ) ( 0.04520 0.07830 ) ( -0.26166 0.64435 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) Representation 3 1 modes -A_1 D_1 S_1 To be done Irreps are as follows: mode # 3 ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( -0.70711 0.00000 ) ( -0.70711 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) Representation 4 1 modes -A_1 D_1 S_1 To be done Irreps are as follows: mode # 4 ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( -0.16123 0.00000 ) ( -0.16123 0.00000 ) ( -0.63629 -0.20773 ) ( -0.16123 0.00000 ) ( -0.16123 -0.00000 ) ( 0.63629 0.20773 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) Representation 5 1 modes -A_1 D_1 S_1 To be done Irreps are as follows: mode # 5 ( -0.03062 0.00000 ) ( -0.03179 0.06397 ) ( 0.43752 0.22920 ) ( 0.07129 -0.00446 ) ( 0.01531 0.02652 ) %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% Error in routine openfilq (1): file 1144.bar not found %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% stopping ... ( -0.02027 -0.49351 ) ( -0.03062 0.00000 ) ( -0.03179 0.06397 ) ( -0.43752 -0.22920 ) ( -0.03179 0.06397 ) ( -0.03062 0.00000 ) ( -0.43752 -0.22920 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) Representation 6 1 modes -A_1 D_1 S_1 To be done Irreps are as follows: mode # 6 ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( -0.49176 0.00000 ) ( -0.49176 -0.00000 ) ( -0.07854 -0.10089 ) ( 0.24588 0.42588 ) ( 0.24588 0.42588 ) ( 0.04811 -0.11846 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) Representation 7 1 modes -A_1 D_1 S_1 To be done Irreps are as follows: mode # 7 ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( -0.47329 0.00000 ) ( -0.47329 -0.00000 ) ( 0.21675 0.07076 ) ( -0.47329 -0.00000 ) ( -0.47329 -0.00000 ) ( -0.21675 -0.07076 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) Representation 8 1 modes -A_1 D_1 S_1 To be done Irreps are as follows: mode # 8 ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( -0.70711 0.00000 ) ( -0.70711 0.00000 ) ( 0.00000 0.00000 ) Representation 9 1 modes -A_1 D_1 S_1 To be done Irreps are as follows: mode # 9 ( -0.47628 0.00000 ) ( 0.14389 -0.04463 ) ( -0.02015 0.00724 ) ( -0.11059 -0.10230 ) ( 0.23814 0.41247 ) ( 0.01634 0.01383 ) ( -0.47628 0.00000 ) ( 0.14389 -0.04463 ) ( 0.02015 -0.00724 ) ( 0.14389 -0.04463 ) ( -0.47628 0.00000 ) ( 0.02015 -0.00724 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) Representation 10 1 modes -A_2 D_2 S_2 To be done Irreps are as follows: mode # 10 ( -0.08908 -0.00000 ) ( -0.15534 -0.05397 ) ( -0.13700 -0.44301 ) ( -0.03093 -0.16151 ) ( -0.04454 -0.07714 ) ( 0.31516 -0.34015 ) ( 0.08908 0.00000 ) ( 0.15534 0.05397 ) ( -0.13700 -0.44301 ) ( -0.15534 -0.05397 ) ( -0.08908 -0.00000 ) ( 0.13700 0.44301 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) Representation 11 1 modes -A_2 D_2 S_2 To be done Irreps are as follows: mode # 11 ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( -0.50000 0.00000 ) ( 0.50000 -0.00000 ) ( 0.00000 -0.00000 ) ( 0.50000 -0.00000 ) ( -0.50000 -0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) Representation 12 1 modes -A_2 D_2 S_2 To be done Irreps are as follows: %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% Error in routine openfilq (1): file 1144.bar not found %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% stopping ... mode # 12 ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( -0.50000 0.00000 ) ( 0.50000 0.00000 ) ( -0.00000 0.00000 ) ( -0.25000 -0.43301 ) ( 0.25000 0.43301 ) ( -0.00000 -0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) Representation 13 1 modes -A_2 D_2 S_2 To be done Irreps are as follows: %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% Error in routine openfilq (1): file 1144.bar not found %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% stopping ... mode # 13 ( -0.23555 -0.00000 ) ( -0.40023 -0.00038 ) ( 0.09737 0.15764 ) ( -0.19978 -0.34680 ) ( -0.11778 -0.20400 ) ( -0.08783 0.16315 ) ( 0.23555 0.00000 ) ( 0.40023 0.00038 ) ( 0.09737 0.15764 ) ( -0.40023 -0.00038 ) ( -0.23555 -0.00000 ) ( -0.09737 -0.15764 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) Representation 14 1 modes -A_2 D_2 S_2 To be done Irreps are as follows: mode # 14 ( -0.43195 0.00000 ) ( 0.25029 0.01134 ) ( -0.02485 0.00540 ) ( 0.11533 0.22243 ) ( -0.21597 -0.37408 ) ( -0.01710 -0.01882 ) ( 0.43195 0.00000 ) ( -0.25029 -0.01134 ) ( -0.02485 0.00540 ) ( 0.25029 0.01134 ) ( -0.43195 -0.00000 ) ( 0.02485 -0.00540 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) Representation 15 1 modes -B_1 D_3 S_3 To be done Irreps are as follows: mode # 15 ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% Error in routine openfilq (1): file 1144.bar not found %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% stopping ... ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( -0.50000 0.00000 ) ( 0.50000 0.00000 ) ( 0.00000 0.00000 ) ( 0.25000 0.43301 ) ( -0.25000 -0.43301 ) ( -0.00000 -0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) Representation 16 1 modes -B_1 D_3 S_3 To be done Irreps are as follows: mode # 16 ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( -0.50000 0.00000 ) ( 0.50000 0.00000 ) ( -0.00000 0.00000 ) ( -0.50000 0.00000 ) ( 0.50000 0.00000 ) ( 0.00000 -0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) Representation 17 1 modes -B_1 D_3 S_3 To be done Irreps are as follows: mode # 17 ( -0.11429 0.00000 ) ( -0.00781 0.05417 ) ( -0.48083 -0.05238 ) ( -0.05082 0.02032 ) ( -0.05714 -0.09898 ) ( -0.19505 -0.44260 ) ( -0.11429 -0.00000 ) ( -0.00781 0.05417 ) ( 0.48083 0.05238 ) ( 0.00781 -0.05417 ) ( 0.11429 0.00000 ) ( -0.48083 -0.05238 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) Representation 18 1 modes -B_1 D_3 S_3 To be done Irreps are as follows: mode # 18 ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% Error in routine openfilq (1): file 1144.bar not found %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% stopping ... ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( -0.70711 0.00000 ) ( 0.70711 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) Representation 19 1 modes -B_1 D_3 S_3 To be done Irreps are as follows: mode # 19 ( -0.44615 0.00000 ) ( -0.16250 0.10022 ) ( 0.11677 0.02940 ) ( -0.16804 -0.09062 ) ( -0.22308 -0.38638 ) ( 0.03292 0.11583 ) %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% Error in routine openfilq (1): file 1144.bar not found %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% stopping ... ( -0.44615 -0.00000 ) ( -0.16250 0.10022 ) ( -0.11677 -0.02940 ) ( 0.16250 -0.10022 ) ( 0.44615 0.00000 ) ( 0.11677 0.02940 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) Representation 20 1 modes -B_1 D_3 S_3 To be done Irreps are as follows: mode # 20 ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( -0.70711 0.00000 ) ( 0.70711 0.00000 ) ( 0.00000 0.00000 ) Representation 21 1 modes -B_1 D_3 S_3 To be done Irreps are as follows: %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% Error in routine openfilq (1): file 1144.bar not found %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% stopping ... mode # 21 ( -0.19465 0.00000 ) ( 0.37705 -0.26152 ) ( 0.01467 -0.03663 ) ( 0.41500 0.19578 ) ( -0.09732 -0.16857 ) ( 0.03906 -0.00561 ) ( -0.19465 -0.00000 ) ( 0.37705 -0.26152 ) ( -0.01467 0.03663 ) ( -0.37705 0.26152 ) ( 0.19465 0.00000 ) ( 0.01467 -0.03663 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) Representation 22 1 modes -B_2 D_4 S_4 To be done Irreps are as follows: mode # 22 ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% Error in routine openfilq (1): file 1144.bar not found %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% stopping ... ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( -0.37720 0.00000 ) ( -0.37720 0.00000 ) ( 0.10198 -0.45281 ) ( 0.37720 -0.00000 ) ( 0.37720 0.00000 ) ( 0.10198 -0.45281 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) Representation 23 1 modes -B_2 D_4 S_4 To be done Irreps are as follows: mode # 23 ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( -0.44895 0.00000 ) ( -0.44895 0.00000 ) ( 0.14327 -0.27632 ) ( -0.22448 -0.38880 ) ( -0.22448 -0.38880 ) ( -0.31094 0.01408 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) Representation 24 1 modes -B_2 D_4 S_4 To be done Irreps are as follows: mode # 24 ( -0.23752 0.00000 ) ( 0.14134 0.23530 ) ( 0.34386 0.00082 ) ( 0.13311 -0.24005 ) ( 0.11876 0.20570 ) ( -0.17122 -0.29820 ) ( 0.23752 0.00000 ) ( -0.14134 -0.23530 ) ( 0.34386 0.00082 ) ( -0.14134 -0.23530 ) ( 0.23752 -0.00000 ) ( 0.34386 0.00082 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) Representation 25 1 modes -B_2 D_4 S_4 To be done Irreps are as follows: mode # 25 ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( -0.22009 0.00000 ) ( -0.22009 -0.00000 ) ( -0.29225 0.56365 ) ( -0.11005 -0.19061 ) ( -0.11005 -0.19061 ) ( 0.63427 -0.02873 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) Representation 26 1 modes -B_2 D_4 S_4 To be done Irreps are as follows: mode # 26 ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( -1.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) Representation 27 1 modes -B_2 D_4 S_4 To be done Irreps are as follows: mode # 27 ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( -1.00000 0.00000 ) Representation 28 1 modes -B_2 D_4 S_4 To be done Irreps are as follows: mode # 28 ( -0.17269 -0.00000 ) ( 0.22007 0.20835 ) ( -0.35246 0.06411 ) ( 0.07040 -0.29476 ) ( 0.08634 0.14955 ) ( 0.23175 0.27319 ) ( 0.17269 -0.00000 ) ( -0.22007 -0.20835 ) ( -0.35246 0.06411 ) ( -0.22007 -0.20835 ) ( 0.17269 -0.00000 ) ( -0.35246 0.06411 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) Representation 29 1 modes -B_2 D_4 S_4 To be done Irreps are as follows: mode # 29 ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( -0.32821 0.00000 ) ( -0.32821 -0.00000 ) ( -0.11721 0.52041 ) ( 0.32821 0.00000 ) ( 0.32821 0.00000 ) ( -0.11721 0.52041 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% Error in routine openfilq (1): file 1144.bar not found %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% stopping ... ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) Representation 30 1 modes -B_2 D_4 S_4 To be done Irreps are as follows: mode # 30 ( -0.40468 0.00000 ) ( -0.17686 -0.22702 ) ( -0.05142 -0.02784 ) ( -0.10817 0.26668 ) ( 0.20234 0.35046 ) ( 0.00160 0.05845 ) ( 0.40468 -0.00000 ) ( 0.17686 0.22702 ) ( -0.05142 -0.02784 ) ( 0.17686 0.22702 ) ( 0.40468 0.00000 ) ( -0.05142 -0.02784 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) ( 0.00000 0.00000 ) %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% Error in routine openfilq (1): file 1144.bar not found %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% stopping ... %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% Error in routine openfilq (1): file 1144.bar not found %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% stopping ... %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% Error in routine openfilq (1): file 1144.bar not found %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% stopping ... %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% Error in routine openfilq (1): file 1144.bar not found %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% stopping ... %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% Error in routine openfilq (1): file 1144.bar not found %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% stopping ... %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% Error in routine openfilq (1): file 1144.bar not found %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% stopping ... %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% Error in routine openfilq (1): file 1144.bar not found %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% stopping ... %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% Error in routine openfilq (1): file 1144.bar not found %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% stopping ... %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% Error in routine openfilq (1): file 1144.bar not found %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% stopping ... %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% Error in routine openfilq (1): file 1144.bar not found %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% stopping ... %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% Error in routine openfilq (1): file 1144.bar not found %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% stopping ... %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% Error in routine openfilq (1): file 1144.bar not found %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% stopping ... %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% Error in routine openfilq (1): file 1144.bar not found %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% stopping ... %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% Error in routine openfilq (1): file 1144.bar not found %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% stopping ... %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% Error in routine openfilq (1): file 1144.bar not found %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% stopping ... %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% Error in routine openfilq (1): file 1144.bar not found %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% stopping ... %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% Error in routine openfilq (1): file 1144.bar not found %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% stopping ... %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% Error in routine openfilq (1): file 1144.bar not found %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% stopping ... %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% Error in routine openfilq (1): file 1144.bar not found %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% stopping ... %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% Error in routine openfilq (1): file 1144.bar not found %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% stopping ... %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% Error in routine openfilq (1): file 1144.bar not found %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% stopping ... %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% Error in routine openfilq (1): file 1144.bar not found %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% stopping ... %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% Error in routine openfilq (1): file 1144.bar not found %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% stopping ... %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% Error in routine openfilq (1): file 1144.bar not found %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% stopping ... %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% Error in routine openfilq (1): file 1144.bar not found %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% stopping ... %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% Error in routine openfilq (1): file 1144.bar not found %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% stopping ... %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% Error in routine openfilq (1): file 1144.bar not found %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% stopping ... %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% Error in routine openfilq (1): file 1144.bar not found %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% stopping ... %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% Error in routine openfilq (1): file 1144.bar not found %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% stopping ... %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% Error in routine openfilq (1): file 1144.bar not found %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% stopping ... %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% Error in routine openfilq (1): file 1144.bar not found %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% stopping ... %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% Error in routine openfilq (1): file 1144.bar not found %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% stopping ... %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% Error in routine openfilq (1): file 1144.bar not found %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% stopping ... %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% Error in routine openfilq (1): file 1144.bar not found %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% stopping ... %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% Error in routine openfilq (1): file 1144.bar not found %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% stopping ... %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% Error in routine openfilq (1): file 1144.bar not found %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% stopping ... %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% Error in routine openfilq (1): file 1144.bar not found %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% stopping ... %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% Error in routine openfilq (1): file 1144.bar not found %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% stopping ... %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% Error in routine openfilq (1): file 1144.bar not found %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% stopping ... %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% Error in routine openfilq (1): file 1144.bar not found %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% stopping ... %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% Error in routine openfilq (1): file 1144.bar not found %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% stopping ... %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% Error in routine openfilq (1): file 1144.bar not found %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% stopping ... %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% Error in routine openfilq (1): file 1144.bar not found %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% stopping ... %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% Error in routine openfilq (1): file 1144.bar not found %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% stopping ... %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% Error in routine openfilq (1): file 1144.bar not found %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% stopping ... %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% Error in routine openfilq (1): file 1144.bar not found %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% stopping ... %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% Error in routine openfilq (1): file 1144.bar not found %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% stopping ... %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% Error in routine openfilq (1): file 1144.bar not found %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% stopping ... %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% Error in routine openfilq (1): file 1144.bar not found %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% stopping ... %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% Error in routine openfilq (1): file 1144.bar not found %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% stopping ... %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% Error in routine openfilq (1): file 1144.bar not found %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% stopping ... %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% Error in routine openfilq (1): file 1144.bar not found %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% stopping ... %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% Error in routine openfilq (1): file 1144.bar not found %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% stopping ... %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% Error in routine openfilq (1): file 1144.bar not found %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% stopping ... %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% Error in routine openfilq (1): file 1144.bar not found %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% stopping ... %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% Error in routine openfilq (1): file 1144.bar not found %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% stopping ... %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% Error in routine openfilq (1): file 1144.bar not found %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% stopping ... %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% Error in routine openfilq (1): file 1144.bar not found %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% stopping ... %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% Error in routine openfilq (1): file 1144.bar not found %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% stopping ... %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% Error in routine openfilq (1): file 1144.bar not found %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% stopping ... %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% Error in routine openfilq (1): file 1144.bar not found %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% stopping ... %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% Error in routine openfilq (1): file 1144.bar not found %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% stopping ... %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% Error in routine openfilq (1): file 1144.bar not found %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% stopping ... %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% Error in routine openfilq (1): file 1144.bar not found %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% stopping ... %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% Error in routine openfilq (1): file 1144.bar not found %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% stopping ... %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% Error in routine openfilq (1): file 1144.bar not found %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% stopping ... %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% Error in routine openfilq (1): file 1144.bar not found %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% stopping ... %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% Error in routine openfilq (1): file 1144.bar not found %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% stopping ... %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% Error in routine openfilq (1): file 1144.bar not found %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% stopping ... %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% Error in routine openfilq (1): file 1144.bar not found %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% stopping ... %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% Error in routine openfilq (1): file 1144.bar not found %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% stopping ... %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% Error in routine openfilq (1): file 1144.bar not found %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% stopping ... %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% Error in routine openfilq (1): file 1144.bar not found %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% stopping ... %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% Error in routine openfilq (1): file 1144.bar not found %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% stopping ... %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% Error in routine openfilq (1): file 1144.bar not found %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% stopping ... %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% Error in routine openfilq (1): file 1144.bar not found %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% stopping ... %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% Error in routine openfilq (1): file 1144.bar not found %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% stopping ... %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% Error in routine openfilq (1): file 1144.bar not found %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% stopping ... %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% Error in routine openfilq (1): file 1144.bar not found %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% stopping ... %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% Error in routine openfilq (1): file 1144.bar not found %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% stopping ... %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% Error in routine openfilq (1): file 1144.bar not found %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% stopping ... %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% Error in routine openfilq (1): file 1144.bar not found %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% stopping ... %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% Error in routine openfilq (1): file 1144.bar not found %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% stopping ... %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% Error in routine openfilq (1): file 1144.bar not found %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% stopping ... %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% Error in routine openfilq (1): file 1144.bar not found %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% stopping ... %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% Error in routine openfilq (1): file 1144.bar not found %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% stopping ... %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% Error in routine openfilq (1): file 1144.bar not found %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% stopping ...