From K. Schwarz's presentation titled "From APW to LAPW to (L)APW+lo" [
http://www.wien2k.at/events/ws2006/ws06-schwarz.pdf ]:
* use APW+lo for states, which are difficult to converge:
(f or d-states, atoms with small spheres)
* use LAPW+LO for all other atoms and angular momenta
On 12/26/2015 10:21 AM, Tarek Hammad wrote:
Dear all
For the final column in in case.in1, when should we use a state
LAPW (‘0’) and when should we use an APW+lo (‘1’)???.
Thanks a lot.
Tarek Hammad.
_______________________________________________
Wien mailing list
Wien@zeus.theochem.tuwien.ac.at
http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
SEARCH the MAILING-LIST at:
http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html