Dear Wien2k users, I was working on a 2x2x2 supercell with the original space group of P6/mmm_191. During the nn initialization, there wasn't any message like
NN ENDS But Nnn too small I had chosen RMT of 2.50. So I reduced it to 2.2. Still I got that message during the initialization. The question is that I cannot reduce beyond a certain limit as lstart would complain of leakage. So how do we stop this message. The lapw1.error says Overlapping spheres NN-DIST=0.59.. Nnn too small Any suggestions would be of great help. Suddhasattwa -------------- next part -------------- An HTML attachment was scrubbed... URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20100407/90b9f8d1/attachment.html>