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
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
Error Message from Task 0:: No such file or directory1 23
32 41495 Oct 6th 9:53 pm
Sri4mailing
NWChem error while using geometry:actlist: you are using HF or an untested DF
0 1211 Oct 6th 12:57 pm
Ryetschye
CCSD(T) job error message
2 1547 Oct 6th 12:43 pm
Zfang
Problem with unit cell optimization
0 1551 Oct 5th 7:45 pm
Yenner
Can spherical and cartesian basis sets be mixed in an NWChem calculation?
1 1515 Oct 2nd 1:56 pm
Edoapra
COSMO in NWCHEM 6.5
2 1370 Oct 1st 1:33 pm
Sarom
Difference for functional with dispersion correction between NWCHEM 6.1 and 6.3
2 1861 Sep 30th 2:32 am
Guillaume
MP2 Gradients Failing with Ghost Atoms
4 1368 Sep 29th 3:51 pm
Edoapra
Help understanding file structure of NWChem
2 1758 Sep 29th 1:46 pm
Edoapra
Bug in running of IP/EA CCSD?
2 1784 Sep 29th 10:14 am
Cmjohns6
Different results between using DFT and SCF reference WF in TCE CCSD(T)
2 1549 Sep 25th 5:12 pm
Karol
VENUS/NWChem Job crashes util_jacobi: ierr 1
0 2016 Sep 24th 1:17 pm
Bdatko

Forum >> NWChem's corner >> Running NWChem
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