[Octopus-users] problem with angular momentum evolution.
micael at teor.fis.uc.pt
Sun May 28 21:32:45 WEST 2006
There was indeed a problem with the calculation of the angular momentum
when one was using the parallelization in states. I committed the fix to
the development version.
> I made some calculation with the last
> version of octopus (2.1pre1), and today I saw that
> I get crazy results for the evolution of the angular
> momentum. Today I repeat a calculation that I made last week
> with the version (2.0.1devel) that looks to work,
> and again using (2.1pre1) I get Nan and crazy numbers for the
> evolution of L.
> Daniele Varsano
> Natl. Center S3 INFM-CNR
> c/o Dipartimento di Fisica, Universita' di Modena e Reggio E.
> Via Campi 213/A, 41100 Modena, Italy
> e-mail: varsano.daniele at unimore.it
> URL: http://www.nanoscience.unimo.it
> ph: +39-059-205-5315 fax: +39-059-205-5651
> Octopus-users mailing list
> Octopus-users at tddft.org
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