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3 Replies
5005 Views |
October 22, 2020, 05:47:13 PMby jfurness |
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hyperpolarizability
Started by jtravers |
1 Replies
6253 Views |
April 23, 2019, 11:27:48 AM by Arnim |
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x2t convergence factor
Started by klickklack |
1 Replies
8135 Views |
February 25, 2009, 03:17:22 PM by uwe |
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Mullikan Charges Confusing
Started by kmkumar |
2 Replies
9500 Views |
October 11, 2013, 04:35:28 PM by uwe |
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1 Replies
8747 Views |
April 15, 2008, 04:44:05 PM by christof.haettig |
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0 Replies
5356 Views |
May 02, 2012, 10:44:58 AM by Konstantin |
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How to generat file47 for gennbo (NBO7)
Started by KrisR |
6 Replies
10499 Views |
March 24, 2024, 06:00:38 PM by christof.haettig |
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Calculation of Multiplicity with Turbomole
Started by Lara |
1 Replies
5643 Views |
March 17, 2012, 05:30:13 PM by Arnim |
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Error message with tm2molden
Started by lasermichel |
0 Replies
5198 Views |
March 08, 2010, 10:47:31 AM by lasermichel |
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2 Replies
10415 Views |
July 08, 2015, 02:41:39 PM by uwe |
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1 Replies
6073 Views |
November 18, 2010, 06:14:50 PM by christof.haettig |
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WFN for two-component wave function
Started by mamaouch |
0 Replies
5491 Views |
August 24, 2015, 12:36:09 PM by mamaouch |
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Electrostatic potential map
Started by mariavd |
2 Replies
8233 Views |
May 11, 2016, 11:53:47 AM by mariavd |
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Localization of virtual orbitals
Started by Matteo Guglielmi |
7 Replies
15613 Views |
April 15, 2008, 04:53:55 PM by christof.haettig |
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QTAIM for periodic calculations
Started by max_sam |
0 Replies
3926 Views |
December 02, 2021, 04:59:06 PM by max_sam |
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intrinsic-atomic dipole moment
Started by Mohammad |
0 Replies
4585 Views |
December 05, 2020, 09:04:32 PM by Mohammad |
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Printing overlap/fock matrix
Started by Molcasito |
3 Replies
9011 Views |
July 11, 2008, 04:20:57 PM by Molcasito |
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Bond dissociation energy
Started by Morgan |
1 Replies
7928 Views |
April 29, 2009, 09:31:57 AM by andreas |
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1 Replies
5407 Views |
October 07, 2016, 02:22:23 PM by christof.haettig |
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$wfn - 'too many iterations in tqli'
Started by pandaaka |
0 Replies
6587 Views |
March 15, 2010, 04:54:28 PM by pandaaka |
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