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To understand the energy distribution of electronic levels. 3. Structural Optimization

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&CONTROL calculation = 'scf' ! Self-consistent field calculation restart_mode = 'from_scratch', pseudo_dir = './pseudo/', ! Directory for pseudopotentials outdir = './tmp/', ! Directory for temporary large files prefix = 'silicon', / &SYSTEM ibrav = 2, ! Bravais lattice index (2 for FCC) celldm(1) = 10.26, ! Lattice constant in Bohr nat = 2, ! Number of atoms ntyp = 1, ! Number of atom types ecutwfc = 30.0, ! Kinetic energy cutoff for wavefunctions (Ry) / &ELECTRONS conv_thr = 1.0d-8, ! Convergence threshold / To understand the energy distribution of electronic levels