Dear All, I am trying to initialize the calculation with lstart
WARNING: R0 for atom -4 Z= 83.00 too big With that I reduced the muffin tin radius for that atom but eventually I got the 0.010 Bi CORE electrons leak out of MT-sphere !!!! as well as the following error: R0 for atom -4 Z= 83.00 too big How could I resolve this problem? Thanks a lot! Zhiyong
