Mode=3 (Calculate energy only -- no pressure) 0.005 0.500 (T_{Fermi}, Eigenvalue cutoff for P calculation) ti_par Titanium HCP (A3) 1.586 (We'll use the label to indicate c/a) 0.00 (Electrons in addition to nominal Ti charge (=4/atom)) -3 (hexagonal lattice, read in V and c/a) 238.0 1.586 (V in Bohr^3 and c/a) 0 (No additional strains applied) 2 (Atoms in the unit cell) 4 4 4 (Neighbor search cutoff indices) F (Logical variable -- no internal displacements) 1 0.33333333333333333 0.66666666666666667 0.25 0 0 0 (Atom 1 in lattice coord.) 1 0.66666666666666667 0.33333333333333333 0.75 0 0 0 (Atom 2 in lattice coord.) NEWSYM=T (Generate new set of k-points) LATTIC=4 (Lattice type / Next is spacegroup file name:) spcgp1.hcp ILAT=T (Space group file in lattice Coordinates) -1313 (Read k-point generation information from file) kmesh