> Hello, > I just want to know which structure to be used during covariance analysis > with g_covar with > -s flag(As stated in manual:All structures are fitted to the structure in > the structure file), > So which of the following structure would be appropriate to choose for > covariance analysis, > If we want to calculate covariance during the simulation(Production run) > > (i) Structure after energy minimization > (ii)Structure after equilibration > (iii)Original crystal structure > -- > ----------------------- > *Regards,* > Bipin Singh > >
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