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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. 6.30).

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



N.B. Requests for support are to be addressed to: vasp.materialphysik@univie.ac.at