[Pw_forum] definition of parameter conv_thr
eyvaz_isaev at yahoo.com
Wed Sep 28 00:01:51 CEST 2005
Obviously, it is total energy treshold. Please have a
look at /Doc/INPUT_PW in your Espresso directory.
As a sequence, it is not the same as tolwfr and tolvrs
--- "Nichols A. Romero" <naromero at gmail.com> wrote:
> Where can I find the definition of the conv_thr
> Is this a tolerance on the the wavefunction squared
> or potential residual (
> i.e. analagous to tolwfr or tolvrs in ABINIT)?
> I searched the pw_forum archive but could not find
> a useful reference.
> Nichols A. Romero, PhD.
> 1613 Denise Dr. Apt. D
> Forest Hill, MD 21050
> (217) 417-5210
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