I guess you can use the information given in the headers for different cutoff radii used for pseudoization and number of angular momentum components used for a pseudoized state. For more information, see the documentation of USPP.
bests, sonu *===============================================* With kind regards, Dr. S Kumar, Post doctoral fellow Physical Sciences and Engineering Divison, IBN Sina Building, KAUST, Thuwal, KSA *===============================================* On Sun, Jul 23, 2017 at 2:51 PM, Yue-Wen Fang <[email protected]> wrote: > Dear all, > > I downloaded the uspp-736.tar.gz, and got runatom.x through compiling in > *SOURCE*. However, I found only few elements were included in the > directory *WORK*, for example, the pseudopotential generation files for > manganese (Mn) was not found. Do I need prepare the generation files by > myself for Mn? > > On the other hand, when downloading the UPF files from the psudopotential > library of Quantum Espresso, we usually see such a note "Generated by > Vanderbilt code version 7.x.x". For instance, Mn.pbe-sp-van_mit.UPF > <http://www.quantum-espresso.org/wp-content/uploads/upf_files/Mn.pbe-sp-van_mit.UPF> > could > be found from the http://www.quantum-espresso.org/pseudopotentials/, and > it was "Generated by Vanderbilt code version 7.3.6". I guess these > pseudopotentials should also generated by the uspp-736.tar.gz or other > similar code, where can I find the generation files? Could you give some > comments? Thank you very much. > > > Best wishes > Yue-Wen Fang > -- > ------------------------------------------------------------ > ------------------------------------------------ > Visiting academic, New York University Shanghai > <https://shanghai.nyu.edu/>, China > Phone: +86-18657193156 <186%205719%203156> > Skype: Yue-Wen FANG > Email: [email protected]; [email protected] > > > > > _______________________________________________ > Pw_forum mailing list > [email protected] > http://pwscf.org/mailman/listinfo/pw_forum >
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