Running NWChem

Announcement's	Replies	Views	Last Action
Locked Sticky: Website shutting down on July 31st 2020. Moving to google groups	0	1715	Jun 18th 5:01 pm Edoapra
Locked Sticky: NWChem 7.0.0 available for dowload	0	13620	Dec 14th 2:51 pm Edoapra

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Thread Title	Replies	Views	Last Action
Does new version of NWCHEM provide T1 diagnostic for CC ?	3	1817	Dec 10th 8:54 am Jhammond
Cannot Increase GA Needed for Example ccsdt_polar_small	3	1498	Dec 10th 8:44 am Jhammond
EOMCCSDT Calculation Does Not Reach Convergence Criteria	1	1582	Dec 8th 7:10 pm Xiongyan21
NEB Gmax convergence question	6	1556	Dec 7th 12:55 am Samw
NWChem 6.5 Job crashes	5	2471	Dec 7th 12:45 am Samw
Error Running CPHF Module	14	3188	Dec 3rd 4:36 pm Edoapra
Multiple Jobs in One File	4	1994	Dec 3rd 12:35 am Brose
multiplicity problem in open-shell dft	5	4457	Dec 2nd 6:51 am Neo
Problem on running NWPW module	0	1158	Nov 30th 7:32 pm Zhangbh
current right signature 0 != proper right signature	3	2250	Nov 14th 11:10 pm Vladimir
an error when running NWChem6.3	12	2520	Nov 13th 6:11 pm Liuwei
Is it impossible to calculate excited state energies by TDDFT with Minnesota functionals?	0	1353	Nov 12th 7:48 am Xiongyan21
Analytic 2nds not ready for these XC functionals error in TDDFT	3	1569	Nov 11th 9:29 pm Xiongyan21
Test tce_mrcc_bwcc_subgroups already can pass by redefinition of subgroupsize n	2	1293	Nov 10th 7:56 pm Xiongyan21
projecting small basis onto larger one	8	3235	Nov 7th 10:06 am Edoapra
Test tce_mrcc_mkcc , tce_mrcc_bwcc and tce_cuda passed	0	1572	Nov 6th 7:56 pm Xiongyan21
How to make quadratical ROHF converge in cr_eomccsd_t_xmem calculation?	2	1277	Nov 6th 7:34 pm Xiongyan21
Wavefunction Stability Check	0	1565	Nov 3rd 4:27 pm Yjiao03
NWChem 6.5 print directive does not obey	0	1040	Nov 3rd 8:53 am Frank
Parameter	0	984	Oct 27th 10:52 pm Fariba4
Question on resource management	0	1704	Oct 27th 1:53 am Ivo
cdetci_profprint=.true. (default)	0	1560	Oct 18th 8:40 am Vladimir
Task Raman - nfreq failed	0	1461	Oct 15th 2:46 am Ryetschye
Bug in ESP radii using ECPs	2	1575	Oct 14th 6:46 am P99
no way to perform TS search	1	1587	Oct 11th 12:18 pm Jbaltrus
CCSD Converge issue for large CCSD(T) Jobs	0	1402	Oct 10th 7:57 am Zfang

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