[CPMD-list] for helping

[Ari.P.Seitsonen at iki.fi]

Dear Yyteng,

  The output

# "ETOT=Inf"
# "DETOT=NaN"

means that there is something very much wrong indeed in the job; could
you please send us at least the input and the description for what you
are trying to calculate?

    Greetings,

       apsi

-- 
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 Ari Paavo Seitsonen / Ari.P.Seitsonen at iki.fi / http://www.iki.fi/~apsi/
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