[Pw_forum] UPF PAW with Atompaw
Lorenzo Paulatto
Lorenzo.Paulatto at impmc.upmc.fr
Fri May 13 14:06:21 CEST 2011
I report here for future reference that there is a small bug in the
atompaw version bundled with abinit: orbital occupation >= 10 are
miswritten in the UPF file. The bug is already fixed in the most recent
stand-alone version of atompaw (3.0.1.1) available from
http://www.wfu.edu/~natalie/papers/pwpaw/man.html.
--
Lorenzo Paulatto IdR @ IMPMC/UPMC CNRS & Université Paris 6
phone: +33 (0)1 44275 084 / skype: paulatz
www: http://www-int.impmc.upmc.fr/~paulatto/
mail: 23-24/4é16 Boîte courrier 115, 4 place Jussieu 75252 Paris Cédex 05
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