[Wien] the results about electron density difference

Dear wien2k users, I am studying the electron density difference, from where we can know some about the bonding. For example SnO2, the bonding orbital should be Sn:4s 4p, O:2p. But I do not think my following results are reasonable. When I set the Emin in case.in2 to 0.01(Sn:4s 4p, O:2p), the

[Wien] the results about electron density difference

Dear users, I have asked the question last month, but nobody responded. I am studying the electron density difference, from where we can know some about the bonding. For example SnO2, the bonding orbital should be Sn:4s 4p, O:2p. But I do not think my following results are reasonable. When I

[Wien] the results about electron density difference

For a difference density you have to subtract exactly those states which you have in your valence density. One can influence this by Emin when running lapw2, or in the case.inst file (putting manually P for selected states). By default, Sn 4s,4p and O 2s,2p will be in the atomic density (-sigma)