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TDDFT-Transition densities
Started by Pandiselvi |
0 Replies
100 Views |
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plt tool mislabelling atoms with ECPs
Started by Dempsey |
1 Replies
118 Views |
![]() by uwe |
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6 Replies
749 Views |
![]() by prasanta13 |
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What does the output of freeH mean?
Started by Dempsey |
2 Replies
254 Views |
![]() by Dempsey |
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QTAIM for periodic calculations
Started by max_sam |
0 Replies
390 Views |
![]() by max_sam |
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1 Replies
659 Views |
![]() by Arnim |
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3 Replies
981 Views |
![]() by uwe |
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intrinsic-atomic dipole moment
Started by Mohammad |
0 Replies
1027 Views |
![]() by Mohammad |
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3 Replies
1213 Views |
![]() by jfurness |
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Different results between t2x and t2x -c
Started by rkloditz |
2 Replies
1095 Views |
![]() by rkloditz |
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[HowTo] Generate NTOs from TDDFT
Started by finrod |
0 Replies
2029 Views |
![]() by finrod |
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How to generat file47 for gennbo (NBO7)
Started by KrisR |
4 Replies
5418 Views |
![]() by KrisR |
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Cube file export: erroneous shift?
Started by sheidrich |
2 Replies
4213 Views |
![]() by sheidrich |
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hyperpolarizability
Started by jtravers |
1 Replies
2542 Views |
![]() by Arnim |
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Set multiplicity on Turbomole
Started by Glxblt76 |
1 Replies
2475 Views |
![]() by Arnim |
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Electrostatic potential
Started by djelenfi |
2 Replies
2888 Views |
![]() by djelenfi |
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EDD visualization
Started by valienpo |
4 Replies
3248 Views |
![]() by valienpo |
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Hirshfeld charges
Started by Andreas Heyden |
1 Replies
2448 Views |
![]() by uwe |
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1 Replies
5473 Views |
![]() by christof.haettig |
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1 Replies
4442 Views |
![]() by christof.haettig |
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