Dear Prof. Blaha and Wien2k users
My name is Chikashi Suzuki, from Japan Atomic Energy Agency.
I am running wien version WIEN2k 10.1.
I have tried to caclulate Cs M4,5 Xay absoprtion spectra of Cs compound.
Cs M4,5 XANES of CsCl is well reproduced
in case where the core hole is 0.6 (not 1.0),
Dear Prof. Blaha and Wien2k users
In standard Wien2k this is collinear.
However, we also have a noncollinear version WIENNCM (see www.wien2k.at;
reg_user section)
My name is Chikashi Suzuki, from Japan Atomic Energy Agency.
I am running wien version WIEN2k 10.1.
Thnak you for repsonding
Dear Wien2k users,
My name is Chikashi Suzuki, from Japan Atomic Energy Agency.
I am running wien version WIEN2k 10.1.
I calculate the electronic structure of americium oxides
and uranium oxides.
These calculations need spin-orbit interaction.
I wonder if this spin-orbit interaction in Wien2k is
3 matches
Mail list logo