I see, really appreciate it. On Thu, Nov 17, 2011 at 5:05 PM, Lorenzo Paulatto < lorenzo.paulatto at impmc.upmc.fr> wrote:
> In data 17 novembre 2011 alle ore 22:21:01, Jia Chen > <jiachenchem at gmail.com> ha scritto: > > As far as I know, tm=.true. means the pseudopotential is in > > *Troullier-Martins form. > > But I guess the intention of this input file is to make USPP in RRKJ > > form, and I havn't seen many USPP in **Troullier-Martins form. I wonder > > it is my misunderstanding or a small mistake in the input file. Thank > > you very much.* > > Ultra-soft pesudopotentials are build on top of a very hard > norm-conserving pseupotential; this is not the original formulation by > Vanderbilt, but as far as I know, widely used and accepted nowadays. > > In this specific case, the norm-conserving pseudo uses the > Troullier-Martins formulation. > > best regards > > > -- > Lorenzo Paulatto IdR @ IMPMC/UPMC CNRS & Universit? Paris 6 > phone: +33 (0)1 44275 084 / skype: paulatz > www: http://www.impmc.upmc.fr/~paulatto/ > mail: 23-24/4?14 Bo?te courrier 115, 4 place Jussieu 75252 Paris C?dex 05 > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://www.democritos.it/mailman/listinfo/pw_forum > -- Jia Chen Dept of Chemistry Princeton University Princeton, NJ 08544 -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20111117/5bb3c88e/attachment.htm
