If you use the terminal command: echo $SCRATCH
Does it return:
Looks like there might still be a problem with how SCRATCH is defined or
how "./" is resolved by your system.
In the error message, you can see:
Look at the curve energy vs. volume and decide yourself wether its worth
the while to increase the number of iterations (assuming that's the
reason for the 'jump to the next point').
It also is a good idea to look for reasons why the convergence is slow
(problem in the struct file? Bad
Dear Wien Users
Sometimes , It happens that during volume optimization , the calculation
doesn't converge to the chosen energy criteria and jumps to the next point
. In this case, should we delete this point and choose another point or we
could accept this calculation.
For example , with energy
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