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
NMR Shielding Tensors not reported.	1	1675	Mar 4th 1:34 pm Mernst
Memory requirements of EOM-CCSD excitations	1	2409	Mar 4th 10:19 am Mpjohans
Bug: Oscillator strengths with EOMSOL 2 in EOM-CC	0	1824	Mar 4th 10:17 am Mpjohans
CIS frequencies runs crash with "failed to read isroots"	3	4007	Feb 25th 5:46 pm Edoapra
MCSCF error "initial guess has wrong spin/symmetry"	0	1454	Feb 23rd 10:35 am Akaranov
Spherical BSs and COSMO	2	2060	Feb 17th 3:22 am Mpol
Convergence problems; high difference between atomic guess and first step in scf	1	3076	Feb 14th 5:32 pm Huub
String Error: zts_meps: gradient failed 0	1	2498	Feb 14th 5:25 pm Huub
nbf/nmo/basis-name mismatch error in string and neb	1	3012	Feb 14th 5:16 pm Huub
"0:geom_input:center is neither atom nor bq:Received an Error in Communication" error message	1	2348	Feb 14th 5:06 pm Huub
Problem with input for NWChem 6.1.1 and 6.5	6	2048	Feb 14th 7:37 am AlexanderLV
MRCC for non-singlets	0	1405	Feb 13th 3:04 am Mpol
tddft_transfm: failed to allocate w2	1	2048	Feb 9th 12:19 pm Edoapra
NWChem isn't running properly	2	2153	Feb 3rd 10:46 am KhunWasut
Segmentation Violation error, status=: 11	0	2777	Feb 1st 3:13 pm Masrul
Running Nwchem First time	1	1885	Jan 30th 12:59 am Neo
Multiple errors running NWChem 6.5 on Intel Xeon	3	1454	Jan 26th 11:45 am Edoapra
TCE ARMCI DASSERT fail in running NWChem-6.1	2	1577	Jan 12th 12:29 pm Jemmyhu
NEB Error	1	1599	Dec 26th 9:55 am Mhiranya
BSSE energy coming too high !!	0	1377	Dec 24th 5:44 am Neo
Help with large CCSD(T) Calculation	8	7687	Dec 24th 2:52 am Neo
Problem in HWLOC	7	4318	Dec 20th 3:07 am Semmen
String method for three geoms	0	1239	Dec 19th 12:29 pm Pdpatel
Error in running MEPGS calculation	4	2210	Dec 19th 12:26 pm Pdpatel
ARMCI DASSERT fail for CCSD property job	2	2544	Dec 10th 9:40 am Jhammond
Dielectric Properties at MP2 and CCSD(T) level of theory	6	4725	Dec 10th 9:35 am Jhammond

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