[CP2K-user] [CP2K:17265] Some error in the POTENTIAL_UZH file.

[Jürg Hutter]

Thank you

The missing line :

    4   11   10    0

has been added to repository file.

regards

Juerg Hutter

________________________________________
From: cp2k at googlegroups.com <cp2k at googlegroups.com> on behalf of Linfeng Gan <linfenggan at gmail.com>
Sent: Monday, July 4, 2022 4:57 AM
To: cp2k
Subject: [CP2K:17263] Some error in the POTENTIAL_UZH file.

Hi all,
I found some error in the following atom potential, please check.

I GTH-SCAN-q25 GTH-MGGA-q25
    0.38300485131149       3   23.77802181022469   -4.41219383391337   -0.49342908924745
       3
    0.32299532363495       2    0.95803760336498    4.28491358592674
                                                   -5.99199750978273
    0.32247469022206       2   -0.21449068617284   -0.61441702796485
                                                    0.67309872989120
    0.44794298786458       2    1.77812681226407   -3.09368682497745
                                                    3.71550802142012



At GTH-SCAN-q25 GTH-MGGA-q25
    0.45203352712252       2    7.26997470314906    0.24215553495711
       3
    0.27643867537172       3   -5.87326838435054   26.10502820210140  -15.17621756920536
                                                  -58.39108854365154   39.18481146047162
                                                                      -31.49587478382336
    0.36063913127213       3   -5.88798166402627    4.73149193196076    2.92707126183301
                                                   -0.69886547788470   -6.92677690607329
                                                                       4.80649494690296
    0.35649087203501       2   -8.76010464379653    9.49191220231676
                                                  -10.87689691382422

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