Mode=4 (Calculate E(V) and P(V)) 0.005 0.500 (T_{Fermi}, Eigenvalue cutoff for P calculation) pd_par Palladium FCC (A1) fcc 6.80 (20 character label for SKENG) 0.00 (Electrons in addition to nominal Pd charge (=10/atom)) 1 (fcc lattice, read in cubic lattice constant a) 6.80 (lattice constant in Bohr) 0 (No additional strains applied) 1 (Atoms in the unit cell) 4 4 4 (Neighbor search cutoff indicies) F (Logical variable -- no internal displacements) 1 0.000 0.000 0.000 0 0 0 (Position of atom in Lattice coordinates) NEWSYM=T (Generate new set of k-points) LATTIC=1 (Lattice type / Next is spacegroup file name:) spcgrp.fcc ILAT=F (Space group file in Cartesian Coordinates) -1313 (Read k-points from a file/ Next is file name:) fcc.08 Palladium FCC (A1) fcc 6.90 (20 character label for SKENG) 0.00 (Electrons in addition to nominal Pd charge (=10/atom)) 1 (fcc lattice, read in cubic lattice constant a) 6.90 (lattice constant in Bohr) 0 (No additional strains applied) 1 (Atoms in the unit cell) 4 4 4 (Neighbor search cutoff indicies) F (Logical variable -- no internal displacements) 1 0.000 0.000 0.000 0 0 0 (Position of atom in Lattice coordinates) NEWSYM=F (Use previous set of k-points) Palladium FCC (A1) fcc 7.00 (20 character label for SKENG) 0.00 (Electrons in addition to nominal Pd charge (=10/atom)) 1 (fcc lattice, read in cubic lattice constant a) 7.00 (lattice constant in Bohr) 0 (No additional strains applied) 1 (Atoms in the unit cell) 4 4 4 (Neighbor search cutoff indicies) F (Logical variable -- no internal displacements) 1 0.000 0.000 0.000 0 0 0 (Position of atom in Lattice coordinates) NEWSYM=F (Use previous set of k-points) Palladium FCC (A1) fcc 7.10 (20 character label for SKENG) 0.00 (Electrons in addition to nominal Pd charge (=10/atom)) 1 (fcc lattice, read in cubic lattice constant a) 7.10 (lattice constant in Bohr) 0 (No additional strains applied) 1 (Atoms in the unit cell) 4 4 4 (Neighbor search cutoff indicies) F (Logical variable -- no internal displacements) 1 0.000 0.000 0.000 0 0 0 (Position of atom in Lattice coordinates) NEWSYM=F (Use previous set of k-points) Palladium FCC (A1) fcc 7.20 (20 character label for SKENG) 0.00 (Electrons in addition to nominal Pd charge (=10/atom)) 1 (fcc lattice, read in cubic lattice constant a) 7.20 (lattice constant in Bohr) 0 (No additional strains applied) 1 (Atoms in the unit cell) 4 4 4 (Neighbor search cutoff indicies) F (Logical variable -- no internal displacements) 1 0.000 0.000 0.000 0 0 0 (Position of atom in Lattice coordinates) NEWSYM=F (Use previous set of k-points) Palladium FCC (A1) fcc 7.30 (20 character label for SKENG) 0.00 (Electrons in addition to nominal Pd charge (=10/atom)) 1 (fcc lattice, read in cubic lattice constant a) 7.30 (lattice constant in Bohr) 0 (No additional strains applied) 1 (Atoms in the unit cell) 4 4 4 (Neighbor search cutoff indicies) F (Logical variable -- no internal displacements) 1 0.000 0.000 0.000 0 0 0 (Position of atom in Lattice coordinates) NEWSYM=F (Use previous set of k-points) Palladium FCC (A1) fcc 7.40 (20 character label for SKENG) 0.00 (Electrons in addition to nominal Pd charge (=10/atom)) 1 (fcc lattice, read in cubic lattice constant a) 7.40 (lattice constant in Bohr) 0 (No additional strains applied) 1 (Atoms in the unit cell) 4 4 4 (Neighbor search cutoff indicies) F (Logical variable -- no internal displacements) 1 0.000 0.000 0.000 0 0 0 (Position of atom in Lattice coordinates) NEWSYM=F (Use previous set of k-points) Palladium FCC (A1) fcc 7.50 (20 character label for SKENG) 0.00 (Electrons in addition to nominal Pd charge (=10/atom)) 1 (fcc lattice, read in cubic lattice constant a) 7.50 (lattice constant in Bohr) 0 (No additional strains applied) 1 (Atoms in the unit cell) 4 4 4 (Neighbor search cutoff indicies) F (Logical variable -- no internal displacements) 1 0.000 0.000 0.000 0 0 0 (Position of atom in Lattice coordinates) NEWSYM=F (Use previous set of k-points) Palladium FCC (A1) fcc 7.60 (20 character label for SKENG) 0.00 (Electrons in addition to nominal Pd charge (=10/atom)) 1 (fcc lattice, read in cubic lattice constant a) 7.60 (lattice constant in Bohr) 0 (No additional strains applied) 1 (Atoms in the unit cell) 4 4 4 (Neighbor search cutoff indicies) F (Logical variable -- no internal displacements) 1 0.000 0.000 0.000 0 0 0 (Position of atom in Lattice coordinates) NEWSYM=F (Use previous set of k-points) Palladium BCC (A2) bcc 5.30 (20 character label for SKENG) 0.00 (Electrons in addition to nominal Pd charge (=10/atom)) 2 (bcc lattice, read in cubic lattice constant a) 5.30 (lattice constant in Bohr) 0 (No additional strains applied) 1 (Atoms in the unit cell) 4 4 4 (Neighbor search cutoff indicies) F (Logical variable -- no internal displacements) 1 0.000 0.000 0.000 0 0 0 (Position of atom in Lattice coordinates) NEWSYM=T (Generate new set of k-points) LATTIC=1 (Lattice type / Next is spacegroup file name:) spcgrp.bcc ILAT=F (Space group file in Cartesian Coordinates) -1313 (Read k-points from a file/ Next is file name:) bcc.08 Palladium BCC (A2) bcc 5.40 (20 character label for SKENG) 0.00 (Electrons in addition to nominal Pd charge (=10/atom)) 2 (bcc lattice, read in cubic lattice constant a) 5.40 (lattice constant in Bohr) 0 (No additional strains applied) 1 (Atoms in the unit cell) 4 4 4 (Neighbor search cutoff indicies) F (Logical variable -- no internal displacements) 1 0.000 0.000 0.000 0 0 0 (Position of atom in Lattice coordinates) NEWSYM=F (Use previous set of k-points) Palladium BCC (A2) bcc 5.50 (20 character label for SKENG) 0.00 (Electrons in addition to nominal Pd charge (=10/atom)) 2 (bcc lattice, read in cubic lattice constant a) 5.50 (lattice constant in Bohr) 0 (No additional strains applied) 1 (Atoms in the unit cell) 4 4 4 (Neighbor search cutoff indicies) F (Logical variable -- no internal displacements) 1 0.000 0.000 0.000 0 0 0 (Position of atom in Lattice coordinates) NEWSYM=F (Use previous set of k-points) Palladium BCC (A2) bcc 5.60 (20 character label for SKENG) 0.00 (Electrons in addition to nominal Pd charge (=10/atom)) 2 (bcc lattice, read in cubic lattice constant a) 5.60 (lattice constant in Bohr) 0 (No additional strains applied) 1 (Atoms in the unit cell) 4 4 4 (Neighbor search cutoff indicies) F (Logical variable -- no internal displacements) 1 0.000 0.000 0.000 0 0 0 (Position of atom in Lattice coordinates) NEWSYM=F (Use previous set of k-points) Palladium BCC (A2) bcc 5.70 (20 character label for SKENG) 0.00 (Electrons in addition to nominal Pd charge (=10/atom)) 2 (bcc lattice, read in cubic lattice constant a) 5.70 (lattice constant in Bohr) 0 (No additional strains applied) 1 (Atoms in the unit cell) 4 4 4 (Neighbor search cutoff indicies) F (Logical variable -- no internal displacements) 1 0.000 0.000 0.000 0 0 0 (Position of atom in Lattice coordinates) NEWSYM=F (Use previous set of k-points) Palladium BCC (A2) bcc 5.80 (20 character label for SKENG) 0.00 (Electrons in addition to nominal Pd charge (=10/atom)) 2 (bcc lattice, read in cubic lattice constant a) 5.80 (lattice constant in Bohr) 0 (No additional strains applied) 1 (Atoms in the unit cell) 4 4 4 (Neighbor search cutoff indicies) F (Logical variable -- no internal displacements) 1 0.000 0.000 0.000 0 0 0 (Position of atom in Lattice coordinates) NEWSYM=F (Use previous set of k-points) Palladium BCC (A2) bcc 5.90 (20 character label for SKENG) 0.00 (Electrons in addition to nominal Pd charge (=10/atom)) 2 (bcc lattice, read in cubic lattice constant a) 5.90 (lattice constant in Bohr) 0 (No additional strains applied) 1 (Atoms in the unit cell) 4 4 4 (Neighbor search cutoff indicies) F (Logical variable -- no internal displacements) 1 0.000 0.000 0.000 0 0 0 (Position of atom in Lattice coordinates) NEWSYM=F (Use previous set of k-points) Palladium BCC (A2) bcc 6.00 (20 character label for SKENG) 0.00 (Electrons in addition to nominal Pd charge (=10/atom)) 2 (bcc lattice, read in cubic lattice constant a) 6.00 (lattice constant in Bohr) 0 (No additional strains applied) 1 (Atoms in the unit cell) 4 4 4 (Neighbor search cutoff indicies) F (Logical variable -- no internal displacements) 1 0.000 0.000 0.000 0 0 0 (Position of atom in Lattice coordinates) NEWSYM=F (Use previous set of k-points) Palladium BCC (A2) bcc 6.10 (20 character label for SKENG) 0.00 (Electrons in addition to nominal Pd charge (=10/atom)) 2 (bcc lattice, read in cubic lattice constant a) 6.10 (lattice constant in Bohr) 0 (No additional strains applied) 1 (Atoms in the unit cell) 4 4 4 (Neighbor search cutoff indicies) F (Logical variable -- no internal displacements) 1 0.000 0.000 0.000 0 0 0 (Position of atom in Lattice coordinates) NEWSYM=F (Use previous set of k-points)