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[HowTo] Generate NTOs from TDDFT
Started by finrod |
5 Replies
3088 Views |
![]() by shafikoff |
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5 Replies
2198 Views |
![]() by uwe |
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Population analysis new vs old (moloch)
Started by Robin1991 |
1 Replies
320 Views |
![]() by Arnim |
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How to generat file47 for gennbo (NBO7)
Started by KrisR |
5 Replies
6634 Views |
![]() by KrisR |
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freeH partition function calculation
Started by Dempsey |
3 Replies
285 Views |
![]() by Dempsey |
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2 Replies
383 Views |
![]() by Dempsey |
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0 Replies
633 Views |
![]() by t-iwasa |
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TDDFT-Transition densities
Started by Pandiselvi |
1 Replies
838 Views |
![]() by t-iwasa |
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6 Replies
996 Views |
![]() by prasanta13 |
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plt tool mislabelling atoms with ECPs
Started by Dempsey |
1 Replies
773 Views |
![]() by uwe |
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6 Replies
1917 Views |
![]() by prasanta13 |
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What does the output of freeH mean?
Started by Dempsey |
2 Replies
1167 Views |
![]() by Dempsey |
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QTAIM for periodic calculations
Started by max_sam |
0 Replies
976 Views |
![]() by max_sam |
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1 Replies
1318 Views |
![]() by Arnim |
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intrinsic-atomic dipole moment
Started by Mohammad |
0 Replies
1625 Views |
![]() by Mohammad |
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3 Replies
1883 Views |
![]() by jfurness |
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Different results between t2x and t2x -c
Started by rkloditz |
2 Replies
1736 Views |
![]() by rkloditz |
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Cube file export: erroneous shift?
Started by sheidrich |
2 Replies
5048 Views |
![]() by sheidrich |
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hyperpolarizability
Started by jtravers |
1 Replies
3168 Views |
![]() by Arnim |
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Set multiplicity on Turbomole
Started by Glxblt76 |
1 Replies
3134 Views |
![]() by Arnim |
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