I am a beginner at Molecular dynamics. I am trying to gather snapshots of a given material at different temperatures. For each temperature, I have thought to increase the system temperature to "T" K, and equilibriate at that temperature. For the first part(heating) I am using an NVE ensemble. But somehow the temperature is not raising beyond 0K (start temperature). Is this because there is no thermostat at NVE? What can be the alternative route? Using something like the Berendsen Thermostat(SMASS=-1)?

Input file :

PREC = Normal ! standard precision

ENMAX = 400 ! cutoff should be set manually

ISMEAR = 0 ; SIGMA = 0.1

ISYM = 0

IBRION = 0 ! molecular dynamics

IALGO=48

ISIF = 0

NSW = 380 ! 1000 steps

POTIM = 0.5 ! timestep 0.5 fs

MDALGO = 0

SMASS = -3

TEBEG = 0; TEEND = 190 ! temperature