[Wien] choose ISPLIT in structure

Soumen Bag soumenkrbag at gmail.com
Thu Aug 25 14:11:22 CEST 2016


Dear Experts,

In my unit cell of Fe3O4 I have two NONEQUIV Fe atom. By default ISPLIT of
two atom are respectively 2 and 4. I need to see the partial dos of all the
d orbital, so i changed it manually to 5 for each atom. but when i did
init_lapw at point of x kgen structure get modified and ISPLIT again
automatically set back to default value.



how one would choose the ISPLIT value of all the atoms??


Thanks

*Soumen Kumar Bag*
*Physical Science Dept.*
*IISC*
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