Geeklog Site

Post-Doc position

Mon, 14 Jul 2008 22:23:00 +0200

Ann Mattsson at the lab in Sandia is looking for a post-doc who will work on DFT functional and code development. Click on Read More below for details. I am searching for good candidates for a post doctoral appointment in DFT functional and code development. The position will emphasize DFT exchange-correlation functional development for extending the accuracy of existing methods to new application areas. The goal is to enable predictive DFT based simulations to solve challenging scientific problems within all areas of physics. DFT code development will also be a part of the work, with a focus on the all electron, full potential, LMTO code, RSPt (see http://www.rspt.net). The job is posted at our groups web pages http://www.cs.sandia.gov/materials_methods/news1.html where you can also read more about our group and what we do. You can read more about post-doctoral positions at Sandia at http://www.sandia.gov/employment/special-prog/postdocs/ The job is also posted at the Sandia Job Openings page, where a candidate also should input his application: http://www.sandia.gov/employment/career-opp/index.html The post-doc position has reference number 60918 and the posting date is 07/08/2008. Many thanks, Ann.

Don't forget the workshop!

Tue, 01 Jul 2008 07:23:00 +0200

Don't forget to register for the RSPt workshop! The workshop is the right place to meet the people behind RSPt, learn more about the project and perhaps join the group of developers. See the story below for more details.

New version of RSPt

Tue, 27 May 2008 11:01:00 +0200

There is a new version of RSPt in the download section now, rspt144. We have removed a bug in the memory management related to fftw3 and we have also (thanks to Anna) added support for orbital moments. Orbital moments are now printed in the out file when spin-orbit and spin-polarization are used. /Admin

RSPt workshop in Sandia

Fri, 25 Apr 2008 09:14:00 +0200

Thanks to our friends in Sandia the RSPt community is inviting you all to the 2008 International Workshop on RSPt and the Full Potential Muffin-Tin Method in Sandia August 25-29, 2008. See the official home page or contact Ann Mattsson at aematts@sandia.gov.

The goal of the workshop is to bring together researchers developing and applying the FP-LMTO method to discuss (1) the development of the open-source RSPt code and its possible evolution; (2) to present the formalism and technical details of the most recent implementations; (3) to highlight recent advanced use of RSPt; and (4) to identify new needs and especially to enhance international collaborations on method and software development.

The workshop is suitable for researchers and postgraduate students who wish to learn about the FP-LMTO method, users and potential users of RSPt. In addition to the formal sessions with invited contributions, there will be tutorial sections on the use of the RSPt code.

Organizers:

Ann Mattsson, Sandia National Laboratories

Rick Muller, Sandia National Laboratories

Moving server

Tue, 01 Apr 2008 06:37:40 +0200

This week, from today April 1, I will have to shut down the server where www.rspt.net is running a few times. I am moving the server to a even better server room. There will be a few shorter stops (1-2 h) Tuesday and Wednesday and a longer over the weekend. /Admin

Input examples, BCOOP and DMFT.

Tue, 18 Mar 2008 16:14:00 +0100

Thanks to Oscar you can now download two files, coop.inp and green.inp, from the documentation section. We hope to add some documentation soon. You really need it for DMFT... /Admin

New release

Tue, 11 Mar 2008 13:05:00 +0100

A new version of RSPt, beta-115, has been added to the download section. Thanks to Alexei and Igor RSPt can now do DMFT and BCOOP. Please direct any question on the use of RSPt to the forum and not directly to the developers. The code has now been corrected and more portable thanks to the sharp eyes of some users. As soon as Oscar gets back to Sweden he will add some examples of input files for the new features. /Admin

Older manual

Wed, 05 Dec 2007 09:53:25 +0100

Thanks to Meb and Igor you can now download a manual from an older version of RSPt. Most of the information is still valid regarding the data file but the part regarding symt.inp is obsolete, see the README-files in the distribution instead. The manual can be found in the download section. /Admin

Gmail again

Mon, 19 Nov 2007 07:35:26 +0100

We still have problems with gmail. For some reason gmail refuses to accept email from www.rspt.net. If you give a gmail address we can not send your password to you and you can not get any updates from the forum. If possible, use some other email address than gmail. /Admin

New downloads

Tue, 13 Nov 2007 16:28:00 +0100

If you are logged in you can now download a new version of RSPt, directly from the the svn trunk and more. The new version has among other things a bug-fix for the spin-orbit interaction as well as a new directory structure. The tar-ball contains the files README, INSTALL and RUN where you can read some more on how to install and use RSPt. The manual will soon (really soon, at least we plan to do it as fast as we can...) be growing in the wiki. You can also find in the download section a paper related to RSPt which among other things discuss some convergence properties. Finally has TB put his presentation from the workshop (IW FP-LMTO, see below) there for all to enjoy. The plan is to put as many presentations as possible in the download section so if you participated in the workshop and don't mind sharing your presentation, please upload it.