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Sent from a tiny keyboard... Contact info: http://theossrv1.epfl.ch/Main/Contact > On 11 Sep 2019, at 16:36, Soumyadeep <[email protected]> wrote: > > Dear QE users, > > I am getting a overestimated value of Hubbard parameters using hp.x > executable of Quantum Espresso. My material is iron based superconductors > (LiFeAs) for which "U" lies between 3.0-3.5 eV, but using this code I get it > around 6.4-6.5 eV. > > Can anyone find out possible mistakes? > > with many thanks and best regards > Soumyadeep > ------------------------------------------------------------------- > Soumyadeep Ghosh, > Senior Research Fellow, > Homi Bhabha National Institute (HBNI), > Raja Ramanna Centre for Advanced Technology, Indore, India-452013 > Mob: (+91)9424664553 > User Lab: 0731244-2580 > Email: [email protected], [email protected] > ------------------------------------------------------------------- > _______________________________________________ > Quantum ESPRESSO is supported by MaX (www.max-centre.eu/quantum-espresso) > users mailing list [email protected] > https://lists.quantum-espresso.org/mailman/listinfo/users _______________________________________________ Quantum ESPRESSO is supported by MaX (www.max-centre.eu/quantum-espresso) users mailing list [email protected] https://lists.quantum-espresso.org/mailman/listinfo/users
