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Problem with mpsts-noa2 in aoforce
Started by JakubV |
2 Replies
118 Views |
![]() by JakubV |
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Manualy define DFT-D4 ($disp4) parameters
Started by mradon |
2 Replies
688 Views |
![]() by mradon |
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D4 - Edisp /kcal,au: NaN NaN
Started by martijn |
3 Replies
561 Views |
![]() by uwe |
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2 Replies
849 Views |
![]() by prasanta13 |
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Localized Hartree-Fock / Localized DFT?
Started by JakubV |
3 Replies
1283 Views |
![]() by Arnim |
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DFT-D4 energy for charged systems
Started by cneiss |
3 Replies
598 Views |
![]() by uwe |
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Segmentation Faults Using COSMO
Started by Dempsey |
2 Replies
754 Views |
![]() by Dempsey |
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2 Replies
746 Views |
![]() by ChrisS |
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0 Replies
688 Views |
![]() by dsahsah |
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0 Replies
930 Views |
![]() by skundu07 |
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Energy decomposition analysis (EDA)
Started by sareeya |
1 Replies
4138 Views |
![]() by prasanta13 |
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HF problems with diffuse basis set
Started by mpjohans |
3 Replies
7275 Views |
![]() by prasanta13 |
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point charges in a HF-3c calculation
Started by makochman1 |
0 Replies
748 Views |
![]() by makochman1 |
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point charge changed problem
Started by chenjinfeng |
1 Replies
1105 Views |
![]() by uwe |
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RIDFT problem
Started by golden |
3 Replies
2350 Views |
![]() by golden |
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2 Replies
1872 Views |
![]() by farmaceut |
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Triplet scf converges to singlet
Started by akn123 |
1 Replies
1787 Views |
![]() by antti_karttunen |
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ridft+dsp problem with Curium/HOH
Started by corey.taylor |
4 Replies
3982 Views |
![]() by corey.taylor |
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<rdiag> error message in dscf
Started by Thomas_Hofer |
2 Replies
10151 Views |
![]() by abhijit |
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LibXC index numbers
Started by martijn |
1 Replies
4168 Views |
![]() by uwe |
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