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Pages: Previous 1 … 6 7 8

Topic	Replies	Views	Last post
211 Sample input and Visualization of molecular orbital in molden by debu_molcas	8	19,719	2016-11-30 17:15:45 by valera
212 How can I separate one and two electron energy? by nesquik91	2	1,413	2016-11-14 03:38:41 by nesquik91
213 Has anyone used MOLCAS on GPUs? by samarendra	2	2,723	2016-08-15 16:13:17 by BerndS
214 EPR properties of organic biradicals? by Kjell	3	1,717	2016-05-09 17:20:59 by niko
215 Nitrogen Dissociation Energy by Tapan	6	3,076	2016-05-01 18:04:03 by Tapan
216 RASSCF Syntax by Tapan	1	1,383	2016-04-29 09:57:24 by Ignacio
217 How could I get spin-densities from CASSCF? by nesquik91	2	15,319	2016-04-26 11:00:27 by nesquik91
218 is this input enough for right calculation? by nesquik91	1	1,674	2016-04-18 13:20:40 by nesquik91
219 visualization .grid file problem with GV by nesquik91	2	1,918	2016-04-14 12:59:51 by nesquik91
220 Restart a job by sethio	1	2,739	2016-01-21 10:51:36 by Steven
221 Comparison of calculations by Sreenithya	4	2,504	2015-12-24 05:31:58 by Sreenithya
222 active space orbitals are changed by philippt	2	2,651	2015-12-17 19:01:01 by Steven
223 Rasscf energy diverges by Sreenithya	8	6,443	2015-12-16 18:52:07 by Sreenithya

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