[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



More information about the users mailing list