[Pw_forum] CP Help

[Amar Singh]

Dear Friends,​I am trying to understand CP-MD to optimize a structure at room temperature. Right now, I am struggling to understand the parameters like emass, emass cutoff, ion velocities and nrb etc and how to optimize (decide) their best possible values for a certain case. I would be thankful if anyone can suggest some reference for it, as I have already gone through CP user guide and few I/P files available online, which only use certain values of these parameters to run different examples. thanksAmar​DMGR, Chennai.
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