Octopus 2.0.1
From OctopusWiki
This stable version was released on 2006/03/23.
Contents |
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Release Notes
The release of octopus 2.0.1 became necessary because version 2.0 contained rather serious bugs in the following cases:
- Spin-unrestricted calculations for systems with non-local pseudopotentials were giving wrong numbers. For some atoms, the error was small, but there were cases for which the errors were sizeable.
- Wrong units were used in a part of the Vosko, Wilk & Nusair correlation functional.
- Parallel calculations with orbital-dependent xc functionals crashed under some circumstances.
- Local magnetic moments were not computed properly when running parallel in domains.
If you run calculations of this kind we strongly recommend to upgrade
to octopus 2.0.1.
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Download
- Documentation: pdf, ps, html.tar.gz, html
- Source code (all platforms):
- i386 (Pentium):
- x86_64 (Opteron):
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Repositories
To use yum (Fedora), please create a file name "/etc/yum.repos.d/octopus.repo" with the following content:
[octopus] baseurl=http://www.tddft.org/programs/octopus/download/2.0.1/i386/stable
or, if you have an Opteron machine
[octopus] baseurl=http://www.tddft.org/programs/octopus/download/2.0.1/x86_64/stable
If you are using Debian, please add to your sources list:
deb http://www.tddft.org/programs/octopus/download/2.0.1 i386/ deb-src http://www.tddft.org/programs/octopus/download/2.0.1 i386/
or, if you have an Opteron machine
deb http://www.tddft.org/programs/octopus/download/2.0.1 x86_64/ deb-src http://www.tddft.org/programs/octopus/download/2.0.1 x86_64/
To verify the gpg signatures of the packages you may want to download my gpg key
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Thanks
We would like to thank everybody from the octopus-users mailing list who tested 2.0 and was giving feedback.
