package:faq
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==== Where can I find a description of the PAW method? ==== | ==== Where can I find a description of the PAW method? ==== | ||
- | The original reference is [[https:// | + | The original reference is [[https:// |
==== Are there other implementations of the PAW method ==== | ==== Are there other implementations of the PAW method ==== | ||
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The PAW method uses extensively the numerical methodology developed for the pseudopotential approach and for the LMTO method. This results in fast algorithms, and a close similarity between those methods. | The PAW method uses extensively the numerical methodology developed for the pseudopotential approach and for the LMTO method. This results in fast algorithms, and a close similarity between those methods. | ||
- | ==== How do I obtain access to the CP-PAW code? ==== | ||
- | Please note that the CP-PAW code is not easy to use, and requires some experience. Therefore, it is advisable if you have been trained in ab-initio molecular dynamics or if you have a colleague who is willing to help you during your first steps. It is certainly not the kind of code you want to use "on a side". | + | ==== I obtain negative occupations. Is that wrong? ==== |
- | You require a license from Clausthal University of Technology to be able to access | + | No. This occurs normally for the tetrahedron method using the corrections from [[https:// |
- | + | | |
- | To request a license, please go to the PAW download page, where you will be asked to fill an electronic form with your contact details | + | |
- | + | ||
- | If you encounter problems, please contact | + | |
- | Prof. Dr. Peter E. Blöchl | + | |
- | + | ||
- | Address: | + | |
- | Dept. of Applied Theoretical Physics | + | |
- | Institute of Theoretical Physics | + | |
- | Clausthal University of Technology | + | |
- | Leibnizstr. 10 | + | |
- | D-38678 Clausthal-Zellerfeld | + | |
- | Germany | + | |
- | + | ||
- | phone: +49(5323)722555 | + | |
- | fax: +49(5323)723116 | + | |
- | E-Mail: Peter.Bloechl@tu-clausthal.de | + | |
- | + |
package/faq.1648813130.txt.gz · Last modified: 2022/04/01 11:38 by pbloechl