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
TCE ARMCI DASSERT fail in running NWChem-6.1	2	1577	Jan 12th 12:29 pm Jemmyhu
NEB Error	1	1599	Dec 26th 9:55 am Mhiranya
BSSE energy coming too high !!	0	1377	Dec 24th 5:44 am Neo
Help with large CCSD(T) Calculation	8	7687	Dec 24th 2:52 am Neo
Problem in HWLOC	7	4318	Dec 20th 3:07 am Semmen
String method for three geoms	0	1239	Dec 19th 12:29 pm Pdpatel
Error in running MEPGS calculation	4	2210	Dec 19th 12:26 pm Pdpatel
ARMCI DASSERT fail for CCSD property job	2	2544	Dec 10th 9:40 am Jhammond
Dielectric Properties at MP2 and CCSD(T) level of theory	6	4725	Dec 10th 9:35 am Jhammond
TCE CCSD print "t2" output	3	2553	Dec 10th 9:13 am Jhammond
TCE - Problems with GA	3	2389	Dec 10th 9:02 am Jhammond
bas_tag_lib: tag does not refer to an atom	4	1933	Dec 10th 8:59 am Neo
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

Forum >> NWChem's corner >> Running NWChem

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