Dear experts, I need Kohn-Sham orbitals in real space (*basically real space wave functions for (HOMO-5) to (LUMO+5)*) for my calculations. Please help me out in this regard.
I have used *wfck2r.x* but the output *prefix.wfc_r1* is not readable. How to convert the *prefix.wfc_r1 *file to a readable and plot-able file. Your help will be appreciated. Thanks in advanced. Regards, -- Manoar Hossain Research Scholar School of Physical Sciences National Institute of Science Education and Research (NISER) Bhubaneswar, Jatni, Khurda, Odisha, 752050, INDIA
_______________________________________________ users mailing list [email protected] https://lists.quantum-espresso.org/mailman/listinfo/users
