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0 Replies
285 Views |
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TDDFT-Transition densities
Started by Pandiselvi |
1 Replies
507 Views |
![]() by t-iwasa |
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6 Replies
568 Views |
![]() by prasanta13 |
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plt tool mislabelling atoms with ECPs
Started by Dempsey |
1 Replies
462 Views |
![]() by uwe |
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6 Replies
1315 Views |
![]() by prasanta13 |
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What does the output of freeH mean?
Started by Dempsey |
2 Replies
707 Views |
![]() by Dempsey |
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QTAIM for periodic calculations
Started by max_sam |
0 Replies
696 Views |
![]() by max_sam |
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1 Replies
1019 Views |
![]() by Arnim |
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3 Replies
1536 Views |
![]() by uwe |
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intrinsic-atomic dipole moment
Started by Mohammad |
0 Replies
1350 Views |
![]() by Mohammad |
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3 Replies
1564 Views |
![]() by jfurness |
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Different results between t2x and t2x -c
Started by rkloditz |
2 Replies
1441 Views |
![]() by rkloditz |
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[HowTo] Generate NTOs from TDDFT
Started by finrod |
0 Replies
2486 Views |
![]() by finrod |
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How to generat file47 for gennbo (NBO7)
Started by KrisR |
4 Replies
5951 Views |
![]() by KrisR |
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Cube file export: erroneous shift?
Started by sheidrich |
2 Replies
4654 Views |
![]() by sheidrich |
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hyperpolarizability
Started by jtravers |
1 Replies
2855 Views |
![]() by Arnim |
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Set multiplicity on Turbomole
Started by Glxblt76 |
1 Replies
2801 Views |
![]() by Arnim |
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Electrostatic potential
Started by djelenfi |
2 Replies
3185 Views |
![]() by djelenfi |
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EDD visualization
Started by valienpo |
4 Replies
3559 Views |
![]() by valienpo |
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Hirshfeld charges
Started by Andreas Heyden |
1 Replies
2716 Views |
![]() by uwe |
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