On Sab, 23 Febbraio 2008 8:50 pm, Chao Cao wrote: > Hi all, > It's really nice to see PAW implemented in 4.0 CVS. Thanks for your > hard work! However, there are not many PAW pseudopotentials to test the > feature in the package. Is there any upf tools to convert abinit PAW > pseudopotentials, or any documents on the procedure to generate them > using ld1.x? Any suggestions are welcome~!
Dear Chao, its nice to see your interested in the PAW datasets; I'm working to generate some of them on time for the release of QE 4.0, but it takes time to test their quality. In the last few days I've been importing ld1.x documentation to the QE wiki (http://quantum-espresso.org/wiki/index.php/ld1.x), up to now it contains only a subset of what you can find in the atomic_doc/ directory, but I plan to add some sort of mini how-to during the next week. If you are rushing to generate some PAW dataset I can send you a few examples right now, just drop me an email. If after generation and testing you will be willing to contribute them back to the QE pseudopotentials library you will be warmly welcome! Goodbye, LP -- Lorenzo Paulatto SISSA & DEMOCRITOS (Trieste) +39 040 3787 511 http://people.sissa.it/~paulatto/ ---------------------------------------------------------------- SISSA Webmail https://webmail.sissa.it/ Powered by SquirrelMail http://www.squirrelmail.org/
