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Posted: **Thu Jun 08, 2006 4:31 pm**

Hi,

For the continuation of MD say after NSW=100, do I need the TMPCAR file (ISTART=3)? Can I perform MD continuation job with ISTART=2 with WAVECAR and updated POSCAR from CONTCAR?

Posted: **Tue Jun 13, 2006 8:13 am**

I suppose that neither the cell size/shape nor the precision of the
calculation is changed between your MD runs. Hence, simply set
ISTART=1
and continue with the output WAVECAR of the last ionic step and the
updated POSCAR