Subject / Started by | Replies / Views | Last post ![]() |
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optimisation from hessian
Started by monika |
1 Replies
5783 Views |
![]() by turbomaster |
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ired forgotten?
Started by resofidentity |
1 Replies
5122 Views |
![]() by turbomaster |
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dummy atoms and ecp's
Started by resofidentity |
0 Replies
4156 Views |
![]() by resofidentity |
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2 Replies
5396 Views |
![]() by Kiwinator |
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2 Replies
5255 Views |
![]() by willows9803 |
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weird_eht_2nd
Started by Kiwinator |
2 Replies
5018 Views |
![]() by resofidentity |
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binary mos error
Started by Daniel |
1 Replies
4852 Views |
![]() by Daniel |
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flip @ define
Started by chburger |
2 Replies
4504 Views |
![]() by uwe |
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On the def2-SV(P) basis sets
Started by evgeniy |
1 Replies
5339 Views |
![]() by Arnim |
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electric field unit
Started by patrikrydberg |
1 Replies
5147 Views |
![]() by christof.haettig |
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4 Replies
5987 Views |
![]() by sca |
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2 Replies
5017 Views |
![]() by FKoehler |
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DFT+D calculations
Started by bademoor |
3 Replies
10046 Views |
![]() by bademoor |
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Define dies with 'Too many atoms'
Started by Arrepiadd |
4 Replies
10191 Views |
![]() by Arrepiadd |
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0 Replies
4053 Views |
![]() by christof.haettig |
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3 Replies
7095 Views |
![]() by christof.haettig |
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2 Replies
4936 Views |
![]() by evgeniy |
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1 Replies
5335 Views |
![]() by christof.haettig |
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3 Replies
7361 Views |
![]() by uwe |
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Optimization with frozen coordinates
Started by juanjo |
3 Replies
5284 Views |
![]() by juanjo |
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