Running NWChem

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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

Forum >> NWChem's corner >> Running NWChem
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