[Wien] Problems of Error of charge leakage when calculating the effective U

Dear WIEN2k experts and users, I am a beginner of WIEN2k. The version is WIEN2k_21.1. Now, I am learning to calculate the effective U of Fe in Fe3Al, following the note ??Calculating the effective U in APW methods. NiO?? by Georg K.H. Madsen and Pavel Novak. When runsp the constrained

[Wien] Problems of calculating the effective U and setting shift during the supercell procedure

Dear WIEN2k experts and users, I am a beginner of WIEN2k. The version is WIEN2k_21.1. Now, I am learning to calculate the effective U following the note ??Calculating the effective U in APW methods. NiO?? by Georg K.H. Madsen and Pavel Novak. I have two problems about this topic. One is