[Wien] Ghost bands problem

姜若诗 ruoshijiang at sjtu.edu.cn
Sat Feb 29 13:13:57 CET 2020


Dear experts,

I got stuck on the problem when I do the supercell calculation of heavy elements Nd. 
The normal cell calculation is everything good, but it supercell calculation, the ghost band showed up in lapw2.
-------------------------------error message---------------------------
'LAPW2' - semicore band-ranges too large, ghostbands ?
-----------------------------------------------------------------------------

Do you know how to fix it ?
Looking forward to your reply. Thank you very much.

Best,
Jasmine
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20200229/d18b9e9c/attachment.html>


More information about the Wien mailing list