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Topics in Category: General Questions

6 Replies emo
Interchanging keywords between interfaced programs
Topic started 3 months 2 weeks ago by Nike
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 317 Views
Last Post by Nike
2 months 6 days ago
3 Replies emo
Calculate Element 118 (Uuo/Og) with MRCC
Topic started 3 months 3 days ago by pjerabek
135 Views
Last Post by pjerabek
3 months 3 days ago
2 Replies emo
Non-relativistic calculation with DIRAC interface
Topic started 3 months 4 days ago by pjerabek
121 Views
Last Post by pjerabek
3 months 4 days ago
3 Replies emo
CC calculations on A1Pi state of AlH
Topic started 4 months 1 week ago by Ben_Shires
179 Views
Last Post by kallay
4 months 1 week ago
0 Replies emo
Symm for states of EOM-CCSD using RECP from DIRAC
Topic started 7 months 3 days ago by wangf
258 Views
Last Post by wangf
7 months 3 days ago
1 Replies emo
Frozen orbitals
Topic started 7 months 4 days ago by Ziaei
234 Views
Last Post by kallay
7 months 3 days ago
3 Replies emo
Multireference input
Topic started 2 years 8 months ago by Gess
1424 Views
Last Post by kallay
8 months 2 weeks ago
10 Replies emo
Symmetry In the DIRAC interface to MRCC
Topic started 9 months 1 week ago by wangf
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 707 Views
Last Post by kallay
9 months 15 hours ago
2 Replies emo
D2h symmetry discrepancy between MRCC and DIRAC
Topic started 9 months 1 week ago by lixpas
248 Views
Last Post by lixpas
9 months 1 week ago
5 Replies emo
Symmetry of a transition density matrix
Topic started 1 year 3 months ago by leos
659 Views
Last Post by leos
9 months 2 weeks ago
2 Replies emo
CCSDT(Q)/vtz calculation for the He atom
Topic started 11 months 4 weeks ago by dolgonos
426 Views
Last Post by dolgonos
11 months 4 weeks ago
1 Replies emo
Cfour interface
Topic started 1 year 1 week ago by dolgonos
394 Views
Last Post by kallay
1 year 1 week ago
3 Replies emo
dirac interface-fatal in 'dirac mointegral export'
Topic started 1 year 1 week ago by wangf
446 Views
Last Post by kallay
1 year 1 week ago
2 Replies emo
EOM-CC calculation from interface to DIRAC
Topic started 1 year 2 weeks ago by wangf44
675 Views
Last Post by wangf44
1 year 2 weeks ago
1 Replies emo
multi-reference CI approaches with cfour
Topic started 1 year 3 weeks ago by yafuguan
469 Views
Last Post by kallay
1 year 3 weeks ago
8 Replies emo
Dipole moment
Topic started 1 year 4 months ago by tamas821
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 1037 Views
Last Post by tamas821
1 year 2 months ago
2 Replies emo
How to restart transition density calculation?
Topic started 1 year 4 months ago by leos
637 Views
Last Post by leos
1 year 4 months ago
2 Replies emo
possible inaccuracies in calculating ECP integrals
Topic started 1 year 6 months ago by leos
591 Views
Last Post by leos
1 year 6 months ago
5 Replies emo
print Dominant CI coefficients for every root
Topic started 2 years 1 month ago by leos
851 Views
Last Post by leos
1 year 7 months ago
3 Replies emo
MOLPRO+MRCC run; is it stuck or proceeding okay
Topic started 1 year 7 months ago by jsimmie
993 Views
Last Post by kallay
1 year 7 months ago
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