REPORT

From VASP Wiki
Revision as of 22:48, 28 September 2017 by Vaspmaster (talk | contribs)

The output file REPORT contains information about the MD run such as list of parameters used in the simulation, the values of controlled geometric parameters, number of collision with the heat-bath (Andersen thermostat), quantities needed to compute the free-energy gradient, etc.

Related Tags and Sections

MDALGO


Contents