- extremediff="10.0" # extreme energy difference, comething went terribly wrong
- expectenergy="151.3218" # - expected total energy
- cutoffdiff="6.0" # energy cutoff variation - more then this rises warning
+ extremediff="20.0" # extreme energy difference, comething went terribly wrong
+ expectenergy="141.9976" # - expected total energy
+ cutoffdiff="10.0" # energy cutoff variation - more then this rises warning