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Pages: Previous 1 … 5 6 7

Topic	Replies	Views	Last post
181 Embedded Cluster Calculation by filippo_m	0	1,040	2017-02-06 12:07:44 by filippo_m
182 Sample input and Visualization of molecular orbital in molden by debu_molcas	8	19,068	2016-11-30 17:15:45 by valera
183 How can I separate one and two electron energy? by nesquik91	2	1,305	2016-11-14 03:38:41 by nesquik91
184 Has anyone used MOLCAS on GPUs? by samarendra	2	2,475	2016-08-15 16:13:17 by BerndS
185 EPR properties of organic biradicals? by Kjell	3	1,582	2016-05-09 17:20:59 by niko
186 Nitrogen Dissociation Energy by Tapan	6	2,861	2016-05-01 18:04:03 by Tapan
187 RASSCF Syntax by Tapan	1	1,285	2016-04-29 09:57:24 by Ignacio
188 How could I get spin-densities from CASSCF? by nesquik91	2	15,117	2016-04-26 11:00:27 by nesquik91
189 is this input enough for right calculation? by nesquik91	1	1,541	2016-04-18 13:20:40 by nesquik91
190 visualization .grid file problem with GV by nesquik91	2	1,791	2016-04-14 12:59:51 by nesquik91
191 Restart a job by sethio	1	2,537	2016-01-21 10:51:36 by Steven
192 Comparison of calculations by Sreenithya	4	2,327	2015-12-24 05:31:58 by Sreenithya
193 active space orbitals are changed by philippt	2	2,473	2015-12-17 19:01:01 by Steven
194 Rasscf energy diverges by Sreenithya	8	5,973	2015-12-16 18:52:07 by Sreenithya

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