On Saturday, 26 November 2016 13:38:02 CET ashkan shekaari wrote: > Dear experts, > > Within the file Mo.pbe-spn-rrkjus_psl.0.2.UPF it is seen that tm=.true. > which means the PP has been generated using the TM method, but as its name > explains, the file has been generated using RRKJ method. Which one is > correct?
Both, the ultrasoft wavefunctions are constructed with the RRKJ method on tp of hard norm-conserving wavefunctions built with the TM method. hth -- Dr. Lorenzo Paulatto IdR @ IMPMC -- CNRS & Université Paris 6 +33 (0)1 44 275 084 / skype: paulatz http://www.impmc.upmc.fr/~paulatto/ 23-24/4é16 Boîte courrier 115, 4 place Jussieu 75252 Paris Cédex 05 _______________________________________________ Pw_forum mailing list [email protected] http://pwscf.org/mailman/listinfo/pw_forum
