&GLOBAL PROJECT Si_bulk8 RUN_TYPE ENERGY_FORCE PRINT_LEVEL MEDIUM &END GLOBAL &FORCE_EVAL METHOD Quickstep STRESS_TENSOR ANALYTICAL &SUBSYS &KIND Si ELEMENT Si BASIS_SET DZVP-GTH-PADE POTENTIAL GTH-PADE-q4 &END KIND &CELL A 5.430697500 0.000000000 0.000000000 B 0.000000000 5.430697500 0.000000000 C 0.000000000 0.000000000 5.430697500 &END CELL &COORD Si 0.000000000 0.000000000 0.000000000 Si 0.000000000 2.715348700 2.715348700 Si 2.715348700 2.715348700 0.000000000 Si 2.715348700 0.000000000 2.715348700 Si 4.073023100 1.357674400 4.073023100 Si 1.357674400 1.357674400 1.357674400 Si 1.357674400 4.073023100 4.073023100 Si 4.073023100 4.073023100 1.357674400 &END COORD &END SUBSYS &DFT BASIS_SET_FILE_NAME ../../BASIS_SET POTENTIAL_FILE_NAME ../../GTH_POTENTIALS &QS EPS_DEFAULT 1.0E-10 &END QS &MGRID NGRIDS 4 CUTOFF 300 REL_CUTOFF 60 &END MGRID &XC &XC_FUNCTIONAL PADE &END XC_FUNCTIONAL &END XC &SCF SCF_GUESS ATOMIC EPS_SCF 1.0E-7 MAX_SCF 300 &DIAGONALIZATION ON ALGORITHM STANDARD &END DIAGONALIZATION &MIXING T METHOD BROYDEN_MIXING ALPHA 0.4 NBROYDEN 8 &END MIXING &END SCF &END DFT &PRINT &FORCES ON &END FORCES &STRESS_TENSOR ON &END STRESS_TENSOR &END PRINT &END FORCE_EVAL