Mode=3 Calculate E Only 0.002 0.500 (T_{Fermi}, Eigenvalue cutoff for P calculation) cu_par FCC Copper -- Orthorhombic Strain for C_{11}-C_{12} e1^2= 0.0000 (20 character label for SKENG) 0.00 (Electrons in addition to nominal Cu charge (=11/atom)) 1 (fcc lattice, read in cubic lattice constant a) 6.822 (lattice constant in Bohr) 0 (No additional strains applied) 1 (Atoms in the unit cell) 4 4 4 (Neighbor search cutoff indices) 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 ILAT=F (Space group file in Cartesian Coordinates) -1313 (Read k-points from a file/ Next is file name:) fcccp.08 FCC Copper -- Orthorhombic Strain for C_{11}-C_{12} e1^2= 0.0001 (20 character label for SKENG) 0.00 (Electrons in addition to nominal Cu charge (=11/atom)) 1 (fcc lattice, read in cubic lattice constant a) 6.822 (lattice constant in Bohr) -2 (Strain option -2: Read in e1^2, e2=-e1, e3 conserves V) 0.0001 (e1^2) 1 (Atoms in the unit cell) 4 4 4 (Neighbor search cutoff indices) F (Logical variable -- no internal displacements) 1 0.000 0.000 0.000 0 0 0 (Position of atom in Lattice coordinates) NEWSYM=F (Generate new set of k-points) FCC Copper -- Orthorhombic Strain for C_{11}-C_{12} e1^2= 0.0005 (20 character label for SKENG) 0.00 (Electrons in addition to nominal Cu charge (=11/atom)) 1 (fcc lattice, read in cubic lattice constant a) 6.822 (lattice constant in Bohr) -2 (Strain option -2: Read in e1^2, e2=-e1, e3 conserves V) 0.0005 (e1^2) 1 (Atoms in the unit cell) 4 4 4 (Neighbor search cutoff indices) F (Logical variable -- no internal displacements) 1 0.000 0.000 0.000 0 0 0 (Position of atom in Lattice coordinates) NEWSYM=F (Generate new set of k-points) FCC Copper -- Orthorhombic Strain for C_{11}-C_{12} e1^2= 0.0010 (20 character label for SKENG) 0.00 (Electrons in addition to nominal Cu charge (=11/atom)) 1 (fcc lattice, read in cubic lattice constant a) 6.822 (lattice constant in Bohr) -2 (Strain option -2: Read in e1^2, e2=-e1, e3 conserves V) 0.0010 (e1^2) 1 (Atoms in the unit cell) 4 4 4 (Neighbor search cutoff indices) F (Logical variable -- no internal displacements) 1 0.000 0.000 0.000 0 0 0 (Position of atom in Lattice coordinates) NEWSYM=F (Generate new set of k-points) FCC Copper -- Orthorhombic Strain for C_{11}-C_{12} e1^2= 0.0020 (20 character label for SKENG) 0.00 (Electrons in addition to nominal Cu charge (=11/atom)) 1 (fcc lattice, read in cubic lattice constant a) 6.822 (lattice constant in Bohr) -2 (Strain option -2: Read in e1^2, e2=-e1, e3 conserves V) 0.0020 (e1^2) 1 (Atoms in the unit cell) 4 4 4 (Neighbor search cutoff indices) F (Logical variable -- no internal displacements) 1 0.000 0.000 0.000 0 0 0 (Position of atom in Lattice coordinates) NEWSYM=F (Generate new set of k-points) FCC Copper -- Orthorhombic Strain for C_{11}-C_{12} e1^2= 0.0025 (20 character label for SKENG) 0.00 (Electrons in addition to nominal Cu charge (=11/atom)) 1 (fcc lattice, read in cubic lattice constant a) 6.822 (lattice constant in Bohr) -2 (Strain option -2: Read in e1^2, e2=-e1, e3 conserves V) 0.0025 (e1^2) 1 (Atoms in the unit cell) 4 4 4 (Neighbor search cutoff indices) F (Logical variable -- no internal displacements) 1 0.000 0.000 0.000 0 0 0 (Position of atom in Lattice coordinates) NEWSYM=F (Generate new set of k-points) FCC Copper -- Orthorhombic Strain for C_{11}-C_{12} e1^2= 0.0030 (20 character label for SKENG) 0.00 (Electrons in addition to nominal Cu charge (=11/atom)) 1 (fcc lattice, read in cubic lattice constant a) 6.822 (lattice constant in Bohr) -2 (Strain option -2: Read in e1^2, e2=-e1, e3 conserves V) 0.0030 (e1^2) 1 (Atoms in the unit cell) 4 4 4 (Neighbor search cutoff indices) F (Logical variable -- no internal displacements) 1 0.000 0.000 0.000 0 0 0 (Position of atom in Lattice coordinates) NEWSYM=F (Generate new set of k-points) FCC Copper -- Orthorhombic Strain for C_{11}-C_{12} e1^2= 0.0040 (20 character label for SKENG) 0.00 (Electrons in addition to nominal Cu charge (=11/atom)) 1 (fcc lattice, read in cubic lattice constant a) 6.822 (lattice constant in Bohr) -2 (Strain option -2: Read in e1^2, e2=-e1, e3 conserves V) 0.0040 (e1^2) 1 (Atoms in the unit cell) 4 4 4 (Neighbor search cutoff indices) F (Logical variable -- no internal displacements) 1 0.000 0.000 0.000 0 0 0 (Position of atom in Lattice coordinates) NEWSYM=F (Generate new set of k-points) FCC Copper -- Orthorhombic Strain for C_{11}-C_{12} e1^2= 0.0050 (20 character label for SKENG) 0.00 (Electrons in addition to nominal Cu charge (=11/atom)) 1 (fcc lattice, read in cubic lattice constant a) 6.822 (lattice constant in Bohr) -2 (Strain option -2: Read in e1^2, e2=-e1, e3 conserves V) 0.0050 (e1^2) 1 (Atoms in the unit cell) 4 4 4 (Neighbor search cutoff indices) F (Logical variable -- no internal displacements) 1 0.000 0.000 0.000 0 0 0 (Position of atom in Lattice coordinates) NEWSYM=F (Generate new set of k-points) FCC Copper -- Orthorhombic Strain for C_{11}-C_{12} e1^2= 0.0075 (20 character label for SKENG) 0.00 (Electrons in addition to nominal Cu charge (=11/atom)) 1 (fcc lattice, read in cubic lattice constant a) 6.822 (lattice constant in Bohr) -2 (Strain option -2: Read in e1^2, e2=-e1, e3 conserves V) 0.0075 (e1^2) 1 (Atoms in the unit cell) 4 4 4 (Neighbor search cutoff indices) F (Logical variable -- no internal displacements) 1 0.000 0.000 0.000 0 0 0 (Position of atom in Lattice coordinates) NEWSYM=F (Generate new set of k-points) FCC Copper -- Orthorhombic Strain for C_{11}-C_{12} e1^2= 0.0100 (20 character label for SKENG) 0.00 (Electrons in addition to nominal Cu charge (=11/atom)) 1 (fcc lattice, read in cubic lattice constant a) 6.822 (lattice constant in Bohr) -2 (Strain option -2: Read in e1^2, e2=-e1, e3 conserves V) 0.0100 (e1^2) 1 (Atoms in the unit cell) 4 4 4 (Neighbor search cutoff indices) F (Logical variable -- no internal displacements) 1 0.000 0.000 0.000 0 0 0 (Position of atom in Lattice coordinates) NEWSYM=F (Generate new set of k-points)