What is RSPt?

RSPt is a code for electronic structure calculations, based on density functional theory (DFT) and its extensions.

What does RSPt stand for?

RSPt is an old acronym and stands for Relativistic Spin-Polarized toolkit.

How can I get RSPt?

Obtaining RSPt is rather simple. Registered users can download stable versions of the code from the Download page directly. Unregistered users must first register to be able to log in and get the code.

How can I register?

Anyone who wants to register to the website has to send an email to the website administrators (see About us) from a valid university address, stating clearly his/her title and affiliation, and also including a few lines on the intended usage of RSPt. We require this to be able to clarify from the beginning what the new user can realistically expect from RSPt. The email should be entitled "Registration request". In case the user is not affiliated to any institution and has to use a private email address, please write a brief explanation about it. This complicated procedure is needed to avoid bots and to minimize improper use of RSPt.

Why should I register?

We ask users to register since RSPt is a code that is constantly under development. We try to disencourage the usage of old versions of the code, which may contain bugs or outdated features. The best way of keeping things under control is to have an updated list of users that we can contact via mailing lists, when needed.

What do I gain as a registered user?

As a registered user you gain the authorization to download the code and to receive our support for its installation. Given that we are not paid for this work, we do not offer a strictly professional service. Nevertheless, we will do our best to help you!

What do I lose as a registered user?

Nothing!

Will I receive a lot of spam?

Not at all. We plan to send emails every 6 months (or maybe 3, we still haven't decided) to communicate relevant news about bugs, updates, support, new features, workshops, etc etc.

Is RSPt really free?

Yes, RSPt is an Open Source project and is distributed under a GPL2 licence. In practice you can freely use RSPt for your research. For your presentations, we kindly ask you to cite this website and show our logo. For your publications, we kindly ask you to cite relevant works.

How difficult is it to use RSPt?

This is probably the weakest point of RSPt. The FP-LMTO method is notoriously difficult to use. Its adaptive basis is very flexible but also easy to run into troubles. Moreover, the high flexibility of the input data is obtained in RSPt by means of many files. Mastering the input files takes some time, but in our opinion it is time well spent!

How can I learn RSPt?

In principle, any user should be able to learn RSPt by following the RSPt manual. In practice, however, this task may be prohibitive. Not only the FP-LMTO formalism is per se very complicated, but RSPt has also an inconvenient user interface, with a series of fixed-format input files. Therefore it is suggested to attend one of our yearly workshops or to stay in contact with one of the expert users, possibly during a brief research visit. With proper assistance, a person with prior experience in electronic structure codes should be able to learn RSPt in about a week.

I think I found a bug, what should I do?
You should report the bug in the apposite forum. The developers will look into it and will find a solution as soon as possible. In case the bug is very severe, it will be immediately communicated to all users via our mailing list.