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
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
TCE CCSD print "t2" output
 3 2553 Dec 10th 9:13 am
Jhammond

Forum >> NWChem's corner >> Running NWChem
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