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freeh - choosing a scalling factor
Started by ym21d@fsu.edu |
0 Replies
21811 Views |
by ym21d@fsu.edu |
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2 Replies
22285 Views |
by avsfan92 |
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joining coord files
Started by ym21d@fsu.edu |
3 Replies
39556 Views |
by antti_karttunen |
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How to do a NEB calculation
Started by ym21d@fsu.edu |
2 Replies
30985 Views |
by ym21d@fsu.edu |
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1 Replies
32592 Views |
by ym21d@fsu.edu |
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How to use HAGA for optimization?
Started by Robin1991 |
0 Replies
24090 Views |
by Robin1991 |
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Really deep SCF energies DFT (with dscf)
Started by marilu98 |
6 Replies
46906 Views |
by uwe |
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Keywords for density matrix, fock matrix
Started by Amin |
2 Replies
33357 Views |
by Amin |
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0 Replies
26987 Views |
by Kritika22 |
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3 Replies
32229 Views |
by uwe |
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Heavy elements and relativistic effects
Started by JakubV |
9 Replies
53236 Views |
by uwe |
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1 Replies
25579 Views |
by uwe |
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1 Replies
25492 Views |
by uwe |
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0 Replies
24369 Views |
by ym21d@fsu.edu |
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Evib module question
Started by akolio |
1 Replies
27858 Views |
by akolio |
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1 Replies
26075 Views |
by uwe |
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Run BSSE with PBE-def2-QZVPPD
Started by prasanta13 |
5 Replies
38640 Views |
by prasanta13 |
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Alternate SCF algorithms?
Started by jad1507 |
0 Replies
25501 Views |
by jad1507 |
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1 Replies
25659 Views |
by uwe |
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0 Replies
25826 Views |
by chris.hol |
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