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Topic	Forum	Last post
1 Rasscf(RAS1,RAS3) tight energy convergence by vkj	Running Calculations	2019-08-09 10:56:41 by vkj
2 Core excitation with RASSCF by Shota Tsuru	Running Calculations	2019-08-09 09:37:41 by Shota Tsuru
3 LprOrb file from scf calculations by rkloditz	Newbie Corner	2019-08-08 10:24:23 by rkloditz
4 the effect of distant group by Fancy	Running Calculations	2019-07-18 10:09:12 by Fancy
5 Molcas 84 (service pack 1) is available by valera	Announcements	2019-07-05 12:58:41 by valera
6 diffused basis or Rydberg basis by daishudaishu	Running Calculations	2019-05-15 01:08:41 by daishudaishu
7 the problem about putting the orbital of RAS2 into RAS1 by freshman1234	Running Calculations	2019-05-13 02:45:03 by freshman1234
8 QCMaquis standalone keywords in OpenMolcas by LucaBabetto	Running Calculations	2019-05-09 13:33:50 by LucaBabetto
9 Problem in QM/MM optimization by Andrey	Running Calculations	2019-04-29 10:55:00 by Andrey
10 MOLCAS 8.0 getpatch by David	Newbie Corner	2019-04-21 09:43:21 by David
11 SCF functional for CASPT2 calculation by daishudaishu	Newbie Corner	2019-03-27 01:57:46 by daishudaishu
12 transition dipole for spin-orbit eigenfunction using RASSI by tumitumi123	Running Calculations	2019-03-22 04:51:33 by tumitumi123
13 Weird RASSI energy by daishudaishu	Running Calculations	2019-02-24 11:15:53 by daishudaishu
14 Getting <lz> value for the ground-state Kramers doublet of Cobalt(II) by Mukesh	Newbie Corner	2019-02-01 14:55:26 by Mukesh
15 angle of the principal anisotropy axes of excited states by nmkit	Running Calculations	2019-01-16 04:50:04 by nmkit
16 the calculation of spin polarization singlet in SCF module by freshman1234	Running Calculations	2018-12-18 02:30:40 by freshman1234
17 Two-electron integrals by chemUTK1	Newbie Corner	2018-12-14 11:07:24 by chemUTK1
18 Seward related error "function has negative norm". Any solution? by Mukesh	Newbie Corner	2018-10-05 10:21:36 by Mukesh
19 Molcas blog by Ignacio	Announcements	2018-09-18 11:50:54 by Ignacio
20 New orbital viewer: Pegamoid by Ignacio	Announcements	2018-09-12 15:10:18 by Ignacio
21 LUSCUS visualisation molecular orbitals by Mohammed Obies	GUI, Tools and Interfaces	2018-08-24 12:38:02 by Mohammed Obies
22 RASSCF convergence issue by Hanros	Running Calculations	2018-08-22 17:49:00 by Hanros
23 Parallel run Openmolcas by Hanros	Parallelization / Clusters	2018-08-16 18:15:20 by Hanros
24 Cmake Error by hrgrimsl	Installation	2018-07-30 15:32:51 by hrgrimsl
25 CASPT2 calculation error by yasuharushiraishi	Running Calculations	2018-07-27 05:19:34 by yasuharushiraishi
26 Hessian extraction by Sarah	Newbie Corner	2018-06-05 17:10:58 by Sarah
27 State for PCM reaction field by fullmetalchem15t	Running Calculations	2018-05-22 17:33:09 by fullmetalchem15t
28 How to get dyson orbital? by tumitumi123	Running Calculations	2018-05-10 21:34:35 by tumitumi123
29 casscf for CH3I+ Problems in orbital optimization by tumitumi123	Newbie Corner	2018-04-27 03:19:20 by tumitumi123
30 LUSCUS to display the difference between two densities by Sarah	GUI, Tools and Interfaces	2018-04-01 17:03:15 by Sarah

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