[Wien] ELNES(isplit)

lu wei weilu7910 at yahoo.com.cn
Fri Jul 8 09:50:15 CEST 2005


Dear all;
 Sorry for not sending all of  the questions at the same time!
 During ELNES simulation for powder samples use formula ”N” 
and ISPLIT should be set to 8. I want to ask change the isplit to 8 needs
only once (with no need to go through a complete SCF) to rerun lapw1 and lapw2: 
      x lapw1 and x lapw2 -qtl. right?
Should I  change all of isplit to 8 of  atoms in the unit cell or only the atom with a core hole?
Thanks!

		
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