N: Number of atoms in the supercell: 896 Name of the structure: 4H-SiC Default geometry of the unit cell (a11,a22,a33,a12,a13,a23), in Angstrom: 3.032 5.25158 9.90247 0. 0. 0. Translation of the unit cell in three dimensions, NC(1,2,3): 7 4 2 Read from configurational file (if 'NULL' then start from perfect Xtal): NULL Write local density of states to file: dos4h_Si.out Mode of operation: (0 Stop at maximum iteration MAXITER) (1 Stop when the base frequency channel converge) (2 Stop when all frequency channels converge) 0 Number of supercell k-points that you want to sample using Monte Carlo (1 and 4 would invoke Cohen-Chadi k-points for simple cubic as default): 1000 Random number generator seed: 6251 LDOS atom index (1-N): 1 Cartesian direction on that atom: 0 0 1 Number of frequency groups 1 Mimimum(base) frequency in THz: 0.10 Maximum frequency(THz) of the spectrum: 35.0 Shift the spectrum by (THz): 2.0 KTWIST: twist period of the "spin-wave" amplitude series: 20 Number of steps of a period for the maximum frequency: 3 MINITER: number of iterations after which to start monitoring convergence: 1 MAXITER: maximum number of iterations: 1 Fluctuation ratio in three steps to decide convergence: 0.07 Lower bound below which (after MINITER) the LDOS is considered 0: -100000. To run on how many processors: 4 Default loading ratio of the master process: 0.77 PRINT_IP PRINT_FREQ PRINT_FLOPRATE: .false. .false. .true.