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
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

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