I have facing problem during band calculation. When I run the job SCF is converged and band calculations are done at about 551 points but after that BURAI donot show any response and Band energy graph did not appear. BURAI shows that job is running but even after 48 hours, no further calculations are done.
Please guide me how to overcome this problem.
Thank you Mr. Nishihara,
I appreciate you building such an amazing an useful tool.
Wanted to mention that I have this same problem running a Band simulation for a Gallium Oxide structure. It seems that the SCF converges correctly, and the band structure calculation seems to complete successfully after 10-20 minutes.
When I open the espresso.band1 and espresso.band1.gnu files it looks like the bands have all been calculated.
However, in the "Results" section the "BAND" button never shows up. On a previous run earlier today, this worked correctly however.
Do you have any idea what could be causing this problem?