Error in bravais_symm when inpgen is invoked with certain input
With the input
Na testcase &input film=f/ 1.0 0.0 0.0 0.0 1.0 0.0 0.0 0.0 1.0 8.11 1.0 1.0 10 19 11 0.0 0.0 0.0 11 0.5 0.5 0.05 11 0.5 0.5 -.05 11 0.0 0.0 0.10 11 0.0 0.0 -.10 11 0.5 0.5 0.15 11 0.5 0.5 -.15 11 0.0 0.0 0.20 11 0.0 0.0 -.20 11 0.5 0.5 0.25 11 0.5 0.5 -.25 11 0.0 0.0 0.30 11 0.0 0.0 -.30 11 0.5 0.5 0.35 11 0.5 0.5 -.35 11 0.0 0.0 0.40 11 0.0 0.0 -.40 11 0.5 0.5 0.45 11 0.5 0.5 -.45
inpgen throws the error:
******************juDFT-Error***************** ****Error message:n3>neig12 ****Error occurred in subroutine:bravais_symm *********************************************
Replacing the 10 in the input by 9.99 leads to no problems in running inpgen.
This bug has to be fixed.