Dear users,
As I was calculating LSDA+SO, I got the following message. ----------------------------------------------------------------------------------------------------------------------- '12main' - QTL-B.GT.15., Ghostbands, check scf files ----------------------------------------------------------------------------------------------------------------------- The case.inso file is ----------------------------------------------------------------------------------------------------------------------- WFFIL 4 1 0 -10.0000 1.50000 0. 0. 1. 1 number of atoms for which RLO is added 2 -.497 0.005 atom number, e-lo,de (case.in1), repeat NX times 0 0 0 0 0 ----------------------------------------------------------------------------------------------------------------------- I have been looking for this, and found that somebody said that this is a computer problem, not program problem. But I am not sure what really caused this problem, and how to solve this problem. Is it possible that kmesh causes this problem? I used tetrahedron integration rather than summation. And another possibility that I am thinking is RMT... Please give me some advice how to solve this problem. Thank you in advance. All my best, Jihoon Park -------------- next part -------------- An HTML attachment was scrubbed... URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20110609/a7c6ae8c/attachment.htm>