Inpgen robustness, bug? bzone4
After running the inpgen on all delta bulk structures from the periodic table, with the current version.
There is still a problem with Sulfur.
The delta inp file works fine. S_delta_inp out inp.xml But the aiida inp file with the Bravais matrix (same as in out file and inp.xml file of delta_inp file calculation) fails. aiida.in out shell.out From the output I have no clue, why this happens.
******************juDFT-Error***************** ****Error message:bzone4 ****Error occurred in subroutine:brzone ********************************************* juDFT-STOPPED