next up previous contents
Next: IBRION=1 Up: IBRION-tag, NFREE-tag Previous: IBRION=-1   Contents

IBRION=0

Standard ab-initio molecular dynamics. A Verlet algorithm (or fourth order predictor corrector if VASP was linked with stepprecor.o) is used to integrate Newton's equations of motion. POTIM supplies the timestep in femto seconds. The parameter SMASS allows additional control (see Sec. 6.29).

Mind: At the moment only constant volume MD's are possible.



Georg Kresse
2009-04-23