Dear Kanak, You can find Fully relativistic pseudopotentials in PSL. Please see the folowing Link.
http://theossrv1.epfl.ch/Main/Pseudopotentials Please test them yourself before using. On Wed, May 4, 2016 at 10:51 AM, Kanak Datta <[email protected]> wrote: > Dear researchers > > For spin orbit coupling inclusion in bandstructure calculation, we need to > use fully relativistic pseudopotentials as suggested here: > > http://www.quantum-espresso.org/wp-content/uploads/Doc/pw_user_guide/node10.html > > I wand to study the electronic properties of MoS2/WS2 bilayer system with > spin orbit coupling. However, I could not find any fully relativistic > pseudopotential in the library: > > http://www.quantum-espresso.org/pseudo-search-results/?el_id=74&unp_id&fun_id&colum_k&origin_id > > So, for DFT calculation of MoS2/WS2 bilayers with spin orbit correction, > what should be done? I have already done the calculation w/o spin orbit > coupling. > > Thanks in advance. > > Sincerely yours > Kanak > EEE, BUET > > _______________________________________________ > Pw_forum mailing list > [email protected] > http://pwscf.org/mailman/listinfo/pw_forum > -- *Krishnamohan Thekkepat* *Research Associate* *Indo-Korea Science and Technology Center, Bangalore, India* “We shall not cease from exploration, and the end of all our exploring will be to arrive where we started and know the place for the first time.”- T.S Eliot
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