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Add missing electron count to I-q26 and At-q26 potentials (#2182)
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juerghutter committed Jul 4, 2022
1 parent f515968 commit 35df5c5
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2 changes: 2 additions & 0 deletions data/POTENTIAL_UZH
Original file line number Diff line number Diff line change
Expand Up @@ -4455,6 +4455,7 @@ I GTH-SCAN-q17 GTH-MGGA-q17
0.57126652069454

I GTH-SCAN-q25 GTH-MGGA-q25
4 11 10 0
0.38300485131149 3 23.77802181022469 -4.41219383391337 -0.49342908924745
3
0.32299532363495 2 0.95803760336498 4.28491358592674
Expand Down Expand Up @@ -5162,6 +5163,7 @@ At GTH-SCAN-q17 GTH-MGGA-q17
-1.05615018626422

At GTH-SCAN-q25 GTH-MGGA-q25
4 11 10 0
0.45203352712252 2 7.26997470314906 0.24215553495711
3
0.27643867537172 3 -5.87326838435054 26.10502820210140 -15.17621756920536
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