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ecut for H in MD?


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  • From: perand@foi.se
  • To: forum@abinit.org
  • Subject: ecut for H in MD?
  • Date: Wed, 17 Dec 2003 13:36:05 +0100

Hello

What is a suitable ecut for a MD calculation of
H using HGH-psp? In a static run I would use ~30 Ha as H is
rather difficult to converge but at the same
time the convergence criteria can often be
softer in MD calculations. Before I embark on
a lengthy convergence test do anyone have
an idea on what could be a resonable value?

/Per Andersson


  • ecut for H in MD?, perand, 12/17/2003

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