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before the beta parameters, the fort.7 file prints: -1 4 3 6 2.00D+00 % APSE Nbeta nQB nPB RREF
But potfit wants 4 -1 instead of -1 4.
The fort.7 file gives all parameters free, but you need to fix them if you want pot fit to work. I had forgotten that and spent hours today trying to get a fit from BetaFit working in PotFit!
The text was updated successfully, but these errors were encountered:
before the beta parameters, the fort.7 file prints:
-1 4 3 6 2.00D+00 % APSE Nbeta nQB nPB RREF
But potfit wants
4 -1
instead of-1 4
.The fort.7 file gives all parameters free, but you need to fix them if you want pot fit to work. I had forgotten that and spent hours today trying to get a fit from BetaFit working in PotFit!
The text was updated successfully, but these errors were encountered: