On Mon, 26 Jul 2010 05:13:24 +0200, Haowei Peng <haoweipeng at gmail.com> wrote: > I am looking for a tutorial about generating a PAW pseudopotential, any > comments?
Dear Haowei Peng, unfortunately, there is no such tutorial. However, generating a PAW dataset is not really harder than generating an ultrasoft pseudopotential, if you can do the latter you can do the former too. You can take the input files in atomic_doc/paw_library/input as starting examples, start from an element that is "similar" to the one you wish to generate. If encounter any specific problem, please ask on the list for further help. best regards > Thanks a lot. > -- Lorenzo Paulatto post-doc @ IMPMC/UPMC - Universit? Paris 6 phone: +33 (0)1 44 27 74 89 www: http://www-int.impmc.upmc.fr/~paulatto/ previously (take note of the change!): phd student @ SISSA & DEMOCRITOS (Trieste) phone: +39 040 3787 511 www: http://people.sissa.it/~paulatto/
