TZVP-DKH problem for CRYSTAL

[QuantumEntg]

As long as CRYSTAL format does not require electrons on shell, while you try to fill them up CRYSTAL simply breaks with Cobalt:
ERROR **** INPBAS **** SHELL TYPE UNAVAILABLE FOR ATOMIC NUMBER 27

So this part reads like:

27 21
0 0 6 2 1.0
515660.56296198 0.0029128
79136.68588209 0.0090894
18893.17807046 0.0276621
5666.94867780 0.0807736
1915.33483556 0.2395775
692.58658589 0.6399843
0 0 1 2 1.0
265.69465910 1.0000000
0 0 2 2 1.0
108.30104845 0.7568945
46.24415274 0.2431054
0 0 1 0 1.0
18.13712769 -1.0000000
0 0 1 0 1.0
7.85291973 -1.0000000
0 0 2 2 1.0
2.49666399 0.6190117
1.04782429 0.3809882
0 0 1 0 1.0
0.92129386 -1.0000000
0 0 1 0 1.0
0.20269592 1.0000000
0 0 1 0 1.0
0.05000013 1.0000000
0 2 5 6 1.0
5153.06513449 0.0024145
1263.81410825 0.0146260
426.49003119 0.0631535
165.78016797 0.2395904
69.31151396 0.6802154
0 2 2 0 1.0
30.26348395 0.4838781
13.63305677 0.5161218
0 2 1 0 1.0
6.17761123 1.0000000
0 2 3 6 1.0
2.75574680 0.4611668
1.18735239 0.4207376
0.47816165 0.1180955
0 2 1 0 1.0
0.31340765 1.0000000
0 2 1 0 1.0
0.12716165 1.0000000
0 3 4 7 1.0
63.66668830 0.0191282
18.56102053 0.1103792
6.63913369 0.3284895
2.53318910 0.5420029
0 3 1 0 1.0
0.93187834 1.0000000
0 3 1 0 1.0
0.30592586 1.0000000
0 4 1 0 1.0
3.93382585 1.0000000
0 4 1 0 1.0
0.96271584 1.0000000
0 5 1 0 1.0
2.44212370 1.0000000

What is the problem with this basis set?

[susilehtola]

Please contact CRYSTAL support