Program PWSCF v.6.4.1 starts on 18May2020 at 19:19:55 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 & OpenMP), running on 40 processor cores Number of MPI processes: 40 Threads/MPI process: 1 MPI processes distributed on 1 nodes R & G space division: proc/nbgrp/npool/nimage = 40 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./outTiZnMoO2/TiZnMoO2.save/ file Ti.pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3S 3D renormalized file Zn.pbe-dnl-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3D renormalized file Mo.pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 4S renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per band group will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Message from routine setup: DEPRECATED: symmetry with ibrav=0, use correct ibrav instead Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 142 47 13 14356 2761 399 Max 143 48 14 14361 2770 406 Sum 5717 1899 527 574371 110585 16071 bravais-lattice index = 0 lattice parameter (alat) = 14.1000 a.u. unit-cell volume = 1760.4228 (a.u.)^3 number of atoms/cell = 24 number of atomic types = 4 number of electrons = 194.00 number of Kohn-Sham states= 116 kinetic-energy cutoff = 60.0000 Ry charge density cutoff = 720.0000 Ry convergence threshold = 1.0E-11 mixing beta = 0.1000 number of iterations used = 8 plain mixing Exchange-correlation = PBE ( 1 4 3 4 0 0) nstep = 50 celldm(1)= 14.100000 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) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.000000 0.500000 0.000000 ) a(3) = ( 0.000000 0.000000 1.256000 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 0.000000 0.000000 ) b(2) = ( 0.000000 2.000000 0.000000 ) b(3) = ( 0.000000 0.000000 0.796178 ) PseudoPot. # 1 for Ti read from file: ./Ti.pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 3d49698f39dce46b635f166fdc66dbb7 Pseudo is Ultrasoft + core correction, Zval = 12.0 Generated using "atomic" code by A. Dal Corso v.6.2.2 Using radial grid of 1177 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 Zn read from file: ./Zn.pbe-dnl-rrkjus_psl.1.0.0.UPF MD5 check sum: 7f56cabf9682ed8c977c2f7d0c5985c5 Pseudo is Ultrasoft + core correction, Zval = 12.0 Generated using "atomic" code by A. Dal Corso v.6.2.2 Using radial grid of 1201 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. # 3 for Mo read from file: ./Mo.pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: bc008d4421bca2558046c3de26b19ba0 Pseudo is Ultrasoft + core correction, Zval = 14.0 Generated using "atomic" code by A. Dal Corso v.6.3 Using radial grid of 1229 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 O read from file: ./O.pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: b15f85fac327ccb5e22ba8b88818af9f Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.6.3MaX Using radial grid of 1095 points, 4 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Ti 12.00 47.86700 Ti( 1.00) Zn 12.00 65.38000 Zn( 1.00) Mo 14.00 95.95000 Mo( 1.00) O 6.00 16.00000 O ( 1.00) 2 Sym. Ops. (no inversion) found Cartesian axes site n. atom positions (alat units) 1 Ti tau( 1) = ( -0.0246388 0.0000000 -0.0051640 ) 2 Ti tau( 2) = ( 0.4835641 0.0000000 -0.0163946 ) 3 Ti tau( 3) = ( 0.2388408 0.2500000 0.6240744 ) 4 Zn tau( 4) = ( 0.7761338 0.2500000 0.6578412 ) 5 Ti tau( 5) = ( 0.0321585 0.2500000 0.3028385 ) 6 Mo tau( 6) = ( 0.5281549 0.2500000 0.3221885 ) 7 Ti tau( 7) = ( 0.2367046 0.0000000 0.9477655 ) 8 Ti tau( 8) = ( 0.7430341 0.0000000 0.9408944 ) 9 O tau( 9) = ( 0.0079706 0.0000000 0.2555135 ) 10 O tau( 10) = ( 0.5034883 0.0000000 0.2702245 ) 11 O tau( 11) = ( 0.2382121 0.2500000 0.8810342 ) 12 O tau( 12) = ( 0.7431737 0.2500000 0.9356351 ) 13 O tau( 13) = ( 0.0131473 0.2500000 0.5538416 ) 14 O tau( 14) = ( 0.5013360 0.2500000 0.5529190 ) 15 O tau( 15) = ( 0.2450000 0.0000000 1.1983395 ) 16 O tau( 16) = ( 0.7409016 0.0000000 1.2190085 ) 17 O tau( 17) = ( 0.2589496 0.0000000 0.6781303 ) 18 O tau( 18) = ( 0.7474130 0.0000000 0.7021641 ) 19 O tau( 19) = ( 0.0019602 0.2500000 0.0488311 ) 20 O tau( 20) = ( 0.4849873 0.2500000 0.0618640 ) 21 O tau( 21) = ( 0.2603783 0.2500000 0.3555777 ) 22 O tau( 22) = ( 0.7526117 0.2500000 0.3256958 ) 23 O tau( 23) = ( -0.0032911 0.0000000 1.0013902 ) 24 O tau( 24) = ( 0.4898095 0.0000000 1.0017871 ) number of k points= 16 gaussian smearing, width (Ry)= 0.0300 cart. coord. in units 2pi/alat k( 1) = ( 0.1250000 0.2500000 0.0995223), wk = 0.1250000 k( 2) = ( 0.1250000 0.2500000 0.2985669), wk = 0.1250000 k( 3) = ( 0.1250000 0.7500000 0.0995223), wk = 0.1250000 k( 4) = ( 0.1250000 0.7500000 0.2985669), wk = 0.1250000 k( 5) = ( 0.3750000 0.2500000 0.0995223), wk = 0.1250000 k( 6) = ( 0.3750000 0.2500000 0.2985669), wk = 0.1250000 k( 7) = ( 0.3750000 0.7500000 0.0995223), wk = 0.1250000 k( 8) = ( 0.3750000 0.7500000 0.2985669), wk = 0.1250000 k( 9) = ( 0.1250000 -0.2500000 -0.0995223), wk = 0.1250000 k( 10) = ( 0.1250000 -0.2500000 -0.2985669), wk = 0.1250000 k( 11) = ( 0.1250000 -0.7500000 -0.0995223), wk = 0.1250000 k( 12) = ( 0.1250000 -0.7500000 -0.2985669), wk = 0.1250000 k( 13) = ( 0.3750000 -0.2500000 -0.0995223), wk = 0.1250000 k( 14) = ( 0.3750000 -0.2500000 -0.2985669), wk = 0.1250000 k( 15) = ( 0.3750000 -0.7500000 -0.0995223), wk = 0.1250000 k( 16) = ( 0.3750000 -0.7500000 -0.2985669), wk = 0.1250000 Dense grid: 574371 G-vectors FFT dimensions: ( 125, 64, 160) Smooth grid: 110585 G-vectors FFT dimensions: ( 72, 36, 90) Estimated max dynamical RAM per process > 135.42 MB Estimated total dynamical RAM > 5.29 GB The initial density is read from file : ./outTiZnMoO2/TiZnMoO2.save/charge-density starting charge 194.06443, renormalised to 194.00000 Starting wfcs from file total cpu time spent up to now is 6.2 secs Self-consistent Calculation iteration # 1 ecut= 60.00 Ry beta= 0.10 Davidson diagonalization with overlap c_bands: 1 eigenvalues not converged c_bands: 1 eigenvalues not converged %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% Error in routine davcio (10): error while reading from file "/ichec/work/nuig02/vivek05/TiZnMoO2/444k-grid/./outTiZnMoO2/TiZnMoO2.wfc5" %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% stopping ... %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% Error in routine davcio (10): error while reading from file "/ichec/work/nuig02/vivek05/TiZnMoO2/444k-grid/./outTiZnMoO2/TiZnMoO2.wfc7" %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% stopping ... %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% Error in routine davcio (10): error while reading from file "/ichec/work/nuig02/vivek05/TiZnMoO2/444k-grid/./outTiZnMoO2/TiZnMoO2.wfc10" %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% stopping ... %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% Error in routine davcio (10): error while reading from file "/ichec/work/nuig02/vivek05/TiZnMoO2/444k-grid/./outTiZnMoO2/TiZnMoO2.wfc11" %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% stopping ... %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% Error in routine davcio (10): error while reading from file "/ichec/work/nuig02/vivek05/TiZnMoO2/444k-grid/./outTiZnMoO2/TiZnMoO2.wfc12" %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% stopping ... %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% Error in routine davcio (10): error while reading from file "/ichec/work/nuig02/vivek05/TiZnMoO2/444k-grid/./outTiZnMoO2/TiZnMoO2.wfc13" %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% stopping ... %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% Error in routine davcio (10): error while reading from file "/ichec/work/nuig02/vivek05/TiZnMoO2/444k-grid/./outTiZnMoO2/TiZnMoO2.wfc14" %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% stopping ... %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% Error in routine davcio (10): error while reading from file "/ichec/work/nuig02/vivek05/TiZnMoO2/444k-grid/./outTiZnMoO2/TiZnMoO2.wfc15" %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% stopping ... %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% Error in routine davcio (10): error while reading from file "/ichec/work/nuig02/vivek05/TiZnMoO2/444k-grid/./outTiZnMoO2/TiZnMoO2.wfc16" %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% stopping ... %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% Error in routine davcio (10): error while reading from file "/ichec/work/nuig02/vivek05/TiZnMoO2/444k-grid/./outTiZnMoO2/TiZnMoO2.wfc18" %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% stopping ... %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% Error in routine davcio (10): error while reading from file "/ichec/work/nuig02/vivek05/TiZnMoO2/444k-grid/./outTiZnMoO2/TiZnMoO2.wfc19" %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% stopping ... %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% Error in routine davcio (10): error while reading from file "/ichec/work/nuig02/vivek05/TiZnMoO2/444k-grid/./outTiZnMoO2/TiZnMoO2.wfc20" %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% stopping ... %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% Error in routine davcio (10): error while reading from file "/ichec/work/nuig02/vivek05/TiZnMoO2/444k-grid/./outTiZnMoO2/TiZnMoO2.wfc21" %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% stopping ... %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% Error in routine davcio (10): error while reading from file "/ichec/work/nuig02/vivek05/TiZnMoO2/444k-grid/./outTiZnMoO2/TiZnMoO2.wfc24" %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% stopping ... %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% Error in routine davcio (10): error while reading from file "/ichec/work/nuig02/vivek05/TiZnMoO2/444k-grid/./outTiZnMoO2/TiZnMoO2.wfc25" %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% stopping ... %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% Error in routine davcio (10): error while reading from file "/ichec/work/nuig02/vivek05/TiZnMoO2/444k-grid/./outTiZnMoO2/TiZnMoO2.wfc26" %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% stopping ... %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% Error in routine davcio (10): error while reading from file "/ichec/work/nuig02/vivek05/TiZnMoO2/444k-grid/./outTiZnMoO2/TiZnMoO2.wfc27" %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% stopping ... %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% Error in routine davcio (10): error while reading from file "/ichec/work/nuig02/vivek05/TiZnMoO2/444k-grid/./outTiZnMoO2/TiZnMoO2.wfc28" %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% stopping ... %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% Error in routine davcio (10): error while reading from file "/ichec/work/nuig02/vivek05/TiZnMoO2/444k-grid/./outTiZnMoO2/TiZnMoO2.wfc29" %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% stopping ... %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% Error in routine davcio (10): error while reading from file "/ichec/work/nuig02/vivek05/TiZnMoO2/444k-grid/./outTiZnMoO2/TiZnMoO2.wfc30" %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% stopping ... %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% Error in routine davcio (10): error while reading from file "/ichec/work/nuig02/vivek05/TiZnMoO2/444k-grid/./outTiZnMoO2/TiZnMoO2.wfc31" %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% stopping ... %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% Error in routine davcio (10): error while reading from file "/ichec/work/nuig02/vivek05/TiZnMoO2/444k-grid/./outTiZnMoO2/TiZnMoO2.wfc32" %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% stopping ... %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% Error in routine davcio (10): error while reading from file "/ichec/work/nuig02/vivek05/TiZnMoO2/444k-grid/./outTiZnMoO2/TiZnMoO2.wfc35" %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% stopping ... %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% Error in routine davcio (10): error while reading from file "/ichec/work/nuig02/vivek05/TiZnMoO2/444k-grid/./outTiZnMoO2/TiZnMoO2.wfc36" %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% stopping ... %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% Error in routine davcio (10): error while reading from file "/ichec/work/nuig02/vivek05/TiZnMoO2/444k-grid/./outTiZnMoO2/TiZnMoO2.wfc37" %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% stopping ... %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% Error in routine davcio (10): error while reading from file "/ichec/work/nuig02/vivek05/TiZnMoO2/444k-grid/./outTiZnMoO2/TiZnMoO2.wfc38" %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% stopping ... %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% Error in routine davcio (10): error while reading from file "/ichec/work/nuig02/vivek05/TiZnMoO2/444k-grid/./outTiZnMoO2/TiZnMoO2.wfc39" %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% stopping ... %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% Error in routine davcio (10): error while reading from file "/ichec/work/nuig02/vivek05/TiZnMoO2/444k-grid/./outTiZnMoO2/TiZnMoO2.wfc40" %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% stopping ... %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% Error in routine davcio (10): error while reading from file "/ichec/work/nuig02/vivek05/TiZnMoO2/444k-grid/./outTiZnMoO2/TiZnMoO2.wfc9" %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% stopping ... %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% Error in routine davcio (10): error while reading from file "/ichec/work/nuig02/vivek05/TiZnMoO2/444k-grid/./outTiZnMoO2/TiZnMoO2.wfc17" %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% stopping ... %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% Error in routine davcio (10): error while reading from file "/ichec/work/nuig02/vivek05/TiZnMoO2/444k-grid/./outTiZnMoO2/TiZnMoO2.wfc8" %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% stopping ...