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
How to specify TZ (Dunning) in an input file.
3 981 Jul 18th 8:47 am
Sean
Error in Geometry Optimization
5 1363 Jul 14th 1:59 pm
Edoapra
CDFT for dimer calculation
1 1274 Jul 9th 8:48 am
Jarvist
DFT running problem.
0 879 Jul 8th 12:17 am
Nesquik91
ERROR IN DFT OPTIMIZATION JOB
2 1416 Jul 6th 8:46 pm
Satvinder singh
Negative excitation energies with active-space CR-EOMCCSD
0 983 Jun 27th 7:58 am
Ewa
nfreq failed in task raman
2 1216 Jun 25th 11:15 pm
RamanRamanRaman
problem running on periodic system
0 795 Jun 23rd 8:36 am
Lorenzodona91
Error in prepare task.
0 1083 Jun 23rd 1:54 am
CFGrote
PSPW_dplot not producing Gaussian cube file
2 902 Jun 22nd 8:56 pm
Egarr93
How to determine the orbital number of homo in a periodic system?
2 1075 Jun 22nd 11:00 am
Zhenjiang
nwchem 6.6 tests fails with more than 16 cores
4 1075 Jun 20th 1:19 pm
Fcannini
making the movecs file visual?
2 1083 Jun 15th 9:48 am
Zhenjiang
Problem in band_dplot
3 772 Jun 15th 8:56 am
Zhenjiang
insuff stack error in running job
1 1561 Jun 14th 10:30 am
Edoapra
Buy Registered IELTS certificates without attending the Exam
0 947 Jun 13th 6:26 am
Debashree
Erros calculating the raman spectra
1 2025 Jun 6th 1:30 pm
Alarcj
orbital energy for pspw calculations
0 1025 Jun 3rd 2:15 pm
Xw213
Problem with frozen atoms
1 1397 May 31st 9:45 am
Bylaska
HF1D: Insufficient scratch space
2 1248 May 13th 6:17 am
Logsdail
Spin-orbit parameters
0 822 May 6th 12:15 pm
SP
Bismuth's CRENBL ECP potential do not match with people-clarkson website.
0 695 May 2nd 2:39 pm
SP
Polyacetylene: Singularity in Pulay matrix. Error and Fock matrices removed
2 1158 Apr 29th 5:47 pm
Alarcj
Another Raman question - WARNING: CPKS procedure is NOT converged
0 964 Apr 29th 5:44 pm
Alarcj
bad gga
0 798 Apr 29th 4:38 pm
Godzilla
Error: geom_verify_coords failed
0 1612 Apr 29th 2:28 pm
Zahrt

Forum >> NWChem's corner >> Running NWChem
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