Restarting a calculation on exciting

Dear Thuto,

can you please submit the full input.xml?

In any case, please remember our previous discussion on the correct values for 1/3,2/3, sqrt(3)/2 etc… (here)

It seems that your run did not complete the initial ground-state calculation (it did not converge!). This can be to errors in the structure data or to the use of speciesfiles which are not appropriate.

For a more detailed analysis is always better do upload the full input file.

Your sincerely,

Pasquale Pavone (exciting team)