Mode=1 0.005 100 fe_ferro_par Anti-Ferromagnetic bcc (B2) iron 4.500 0.00 (No extra electrons in the unit cell) 4 4.500 lattice constant a 0 Strain parameter type 2 Atoms in the unit cell 4 4 4 search limits FT No additional displacements 1 0.000 0.000 0.000 0 0 0 1 1 0.500 0.500 0.500 0 0 0 2 NEWSYM=T (Construct new k-point mesh) LATTIC=2 spcgrp ILAT=F (Cartesian coordinate space group file) 0 lspec=f,linfok=f 8 8 8 Anti-Ferromagnetic bcc (B2) iron 4.600 0.00 (No extra electrons in the unit cell) 4 4.600 lattice constant a 0 Strain parameter type 2 Atoms in the unit cell 4 4 4 search limits FT No additional displacements 1 0.000 0.000 0.000 0 0 0 1 1 0.500 0.500 0.500 0 0 0 2 NEWSYM=F Anti-Ferromagnetic bcc (B2) iron 4.700 0.00 (No extra electrons in the unit cell) 4 4.700 lattice constant a 0 Strain parameter type 2 Atoms in the unit cell 4 4 4 search limits FT No additional displacements 1 0.000 0.000 0.000 0 0 0 1 1 0.500 0.500 0.500 0 0 0 2 NEWSYM=F Anti-Ferromagnetic bcc (B2) iron 4.800 0.00 (No extra electrons in the unit cell) 4 4.800 lattice constant a 0 Strain parameter type 2 Atoms in the unit cell 4 4 4 search limits FT No additional displacements 1 0.000 0.000 0.000 0 0 0 1 1 0.500 0.500 0.500 0 0 0 2 NEWSYM=F Anti-Ferromagnetic bcc (B2) iron 4.900 0.00 (No extra electrons in the unit cell) 4 4.900 lattice constant a 0 Strain parameter type 2 Atoms in the unit cell 4 4 4 search limits FT No additional displacements 1 0.000 0.000 0.000 0 0 0 1 1 0.500 0.500 0.500 0 0 0 2 NEWSYM=F Anti-Ferromagnetic bcc (B2) iron 5.000 0.00 (No extra electrons in the unit cell) 4 5.000 lattice constant a 0 Strain parameter type 2 Atoms in the unit cell 4 4 4 search limits FT No additional displacements 1 0.000 0.000 0.000 0 0 0 1 1 0.500 0.500 0.500 0 0 0 2 NEWSYM=F Anti-Ferromagnetic bcc (B2) iron 5.100 0.00 (No extra electrons in the unit cell) 4 5.100 lattice constant a 0 Strain parameter type 2 Atoms in the unit cell 4 4 4 search limits FT No additional displacements 1 0.000 0.000 0.000 0 0 0 1 1 0.500 0.500 0.500 0 0 0 2 NEWSYM=F Anti-Ferromagnetic bcc (B2) iron 5.200 0.00 (No extra electrons in the unit cell) 4 5.200 lattice constant a 0 Strain parameter type 2 Atoms in the unit cell 4 4 4 search limits FT No additional displacements 1 0.000 0.000 0.000 0 0 0 1 1 0.500 0.500 0.500 0 0 0 2 NEWSYM=F Anti-Ferromagnetic bcc (B2) iron 5.300 0.00 (No extra electrons in the unit cell) 4 5.300 lattice constant a 0 Strain parameter type 2 Atoms in the unit cell 4 4 4 search limits FT No additional displacements 1 0.000 0.000 0.000 0 0 0 1 1 0.500 0.500 0.500 0 0 0 2 NEWSYM=F Anti-Ferromagnetic bcc (B2) iron 5.400 0.00 (No extra electrons in the unit cell) 4 5.400 lattice constant a 0 Strain parameter type 2 Atoms in the unit cell 4 4 4 search limits FT No additional displacements 1 0.000 0.000 0.000 0 0 0 1 1 0.500 0.500 0.500 0 0 0 2 NEWSYM=F Anti-Ferromagnetic bcc (B2) iron 5.500 0.00 (No extra electrons in the unit cell) 4 5.500 lattice constant a 0 Strain parameter type 2 Atoms in the unit cell 4 4 4 search limits FT No additional displacements 1 0.000 0.000 0.000 0 0 0 1 1 0.500 0.500 0.500 0 0 0 2 NEWSYM=F Anti-Ferromagnetic bcc (B2) iron 5.600 0.00 (No extra electrons in the unit cell) 4 5.600 lattice constant a 0 Strain parameter type 2 Atoms in the unit cell 4 4 4 search limits FT No additional displacements 1 0.000 0.000 0.000 0 0 0 1 1 0.500 0.500 0.500 0 0 0 2 NEWSYM=F Anti-Ferromagnetic bcc (B2) iron 5.700 0.00 (No extra electrons in the unit cell) 4 5.700 lattice constant a 0 Strain parameter type 2 Atoms in the unit cell 4 4 4 search limits FT No additional displacements 1 0.000 0.000 0.000 0 0 0 1 1 0.500 0.500 0.500 0 0 0 2 NEWSYM=F