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
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
Making movies with rasmolmovie	1	1347	Apr 25th 12:00 pm Edoapra
Raman and vibrational modes	1	1569	Apr 25th 11:52 am Edoapra
How to read the eigenvalues from the output?	0	1086	Apr 24th 10:01 pm Raul l
Performance of NWCHEM-6.5	0	884	Apr 21st 9:44 pm Makhyoun
Expectation value of S2	0	1419	Apr 15th 7:26 am Rasmus
Non-convergence of iterative solution of linear equations ("lkain: not converged")	4	1111	Apr 11th 2:33 am Logsdail
MCSCF problem (cannot create CI vector)	0	1021	Apr 3rd 7:15 pm Nesquik91

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