Hello,
I am running the example that glue QE with MAPS.
I managed to reproduce the results in the example (comparing fit.out file), in the beginning I get the exact same results as in the example, but when I let it run for a while I get the results below.
-It appears that ‘known structures’ have lower energy than the ‘known ground states’.
-The ECI (plot and file) is almost empty
-mapsrep generates a file error.out, but it is empty.
A link to the results is attached:
https://drive.google.com/drive/folders/13hWbVxp6e4Y8dgsvzKjErNCBVeEvcgg8?usp=sharing
Thank You Very Much,
Nir
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