SYSTEM = Si-stretched-perturbed.cfg Start Parameter for This Run: NWRITE = 2 Electronic Relaxation 1: PREC = Med Ionic Relaxation: NSW = 1000000 NBLOCK = 1 KBLOCK = 1 IBRION = 2 POTIM = 0.5 ISIF = 2 TEBEG = 300. SMASS = 0 DOS Related Values: ISMEAR = 1 SIGMA = 0.2 EMIN = 10. EMAX = 0. LELF = T LVTOT = T Electronic Relaxation 2: IALGO = 38 LREAL = .FALSE. http://cms.mpi.univie.ac.at/vasp/vasp/node95.html ENCUT = 358.2 ENAUG = 550.0