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Let SCF iteration converge for this test, because an SCF convergence …
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…failure is now an error and causes an abort.
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mkrack committed Dec 17, 2023
1 parent b9e3e7e commit 8e67efe
Showing 1 changed file with 1 addition and 1 deletion.
2 changes: 1 addition & 1 deletion examples/single_calculations/example_precision.py
Original file line number Diff line number Diff line change
Expand Up @@ -63,7 +63,7 @@ def example_precision(cp2k_code):
"BASIS_SET_FILE_NAME": "BASIS_MOLOPT",
"POTENTIAL_FILE_NAME": "GTH_POTENTIALS",
"SCF": {
"MAX_SCF": 1,
"MAX_SCF": 10,
},
"XC": {
"XC_FUNCTIONAL": {
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