[Wien] Core frozen during scf

Dear Prof. P. Blaha & WIEN2k Community, During the self consistent field (scf) calculation, is it possible to keep the core energy fixed? Regards, Shamim Sk, Senior Research Fellow, IIT Mandi, INDIA ___ Wien mailing list

[Wien] Regarding Relaxation Calculation in DFT+U

Dear Prof. P. Blaha & WIEN2k Community, Can we implement the force minimization using "run_lapw -min -fc 0.5 -ec 0.0001 -cc 0.001" in DFT+U calculation ? Thank you, Shamim Sk IIT Mandi, HP, India. ___ Wien mai

[Wien] Regarding Relaxation calculation

Dear Prof. P. Blaha & WIEN2k Community, In relaxation calculation using "run_lapw -min -fc 0.5 -ec 0.0001 -cc 0.001" , is it possible to keep the positions of some of the atoms in the supercell fixed ? Thank you, Shamim Sk IIT Ma