[Pw_forum] cg (Paolo Umari)

umari at democritos.it umari at democritos.it
Sat Jul 26 12:53:55 CEST 2008



Dear  Mansoureh

  this messages reports the fact that during  a single cg minimizationstep,
  the lowest energy which is found is that which corresponds to the
  trial step. If this happens close to convergence it can be ignored.
  Regards,
  Paolo Umari
      >
    > Dear all
    > I am running molecular dynamics with cg in electron dynamics.What does
    > ''cg_sub:missed minimum,case 1,iteration mean?
    > Is that an error or I can ignore it?
    > thank you in advance
    > Mansoureh

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