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
CCSDT calculation of F2 at twice equilibrium distance cannot converge	4	742	Jan 18th 8:53 am Xiongyan21
M06-L with Grimme DFT-D3 in NWPW?	0	399	Jan 18th 7:23 am Mdsimulationgroup
Excited State Properties?	0	385	Jan 14th 9:53 am Dblinger
NWchem running but not writing in output file	0	440	Jan 14th 2:11 am Dkumar.rav
How to generate an output file during a parallel run on MAC OS X	3	2430	Jan 14th 1:47 am Dkumar.rav
run ccsdt error	7	961	Jan 13th 10:05 pm Xiongyan21
*	4	813	Jan 12th 7:13 am Xiongyan21
Get error: Last System Error Message from Task 0:: No such file or directory	11	480	Jan 11th 3:43 pm Edoapra
Which keyword let qmmm_freq.nw restart?	2	501	Jan 8th 11:14 am Edoapra
movecs_write: ma failed error when doing TDDFT	1	580	Jan 3rd 12:40 pm Sean
DFT Energy failure during calculation	4	1932	Dec 28th 9:27 am Sean
Diatomic system energy calculation	1	529	Dec 26th 5:38 am Sean
CCSD(T) Opt stops at Step 0	1	466	Dec 18th 1:12 pm Mdsimulationgroup
HF SCF Oscillating and Failling	1	388	Dec 18th 12:20 pm Mdsimulationgroup
Parallelization and Hardware	0	431	Dec 13th 5:26 pm Anthozep
TDDFT Error with "xc new m06-2x"	3	614	Dec 11th 10:58 am Edoapra
Output file is not generated along the run	0	364	Dec 11th 3:29 am Juno
bug on geometry adjust: cannot set symmetry or disable autorecognition	0	415	Dec 7th 1:57 pm Fulvio.ciriaco
RT-TDDFT Molecular Orientation	1	535	Dec 7th 12:22 pm Sean
Restart freq numerical	2	528	Dec 4th 5:56 am LarryVir
PSPW Car-Parrinello Recentering Starting Geometery	2	649	Nov 28th 6:36 am Mdsimulationgroup
NWPW Missing Library File	2	651	Nov 27th 12:25 pm Ryan81
NWPW Lattice Units?	1	593	Nov 27th 11:37 am Sean
Imposition of constraints did not converge	2	490	Nov 17th 3:48 am Mime
CPHF Module - ikain not converged	2	614	Nov 15th 3:36 am Sparks
Numerical collapse in EOM-CCSD?	0	430	Nov 14th 1:28 pm Cchang

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