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
Error in NICS computation - hnd_giaox: geom_tag_to_element failed
4 1964 Jun 25th 4:32 pm
Huub
Problem about plot of molecular orbital
1 1603 Jun 25th 1:57 pm
Huub
Error restarting an optimisation
2 1229 Jun 24th 2:38 pm
Ummacles
running CCSD(T) using TCE, ARMCI DASSERT fail
4 1834 Jun 16th 6:48 am
Obm
rt-tddft silently refuses to restart,
1 2324 Jun 15th 4:48 am
Obm
Is it possible to use CAM-PBE0 with Real Time TDDFT?
0 1492 Jun 13th 8:05 am
Obm
Problems with parallel scaling
3 1980 Jun 12th 11:10 pm
Vladimir
Spin-Orbit potential
2 1585 Jun 5th 8:13 pm
Dan
armci_malloc:malloc 1 failed
7 3356 Jun 5th 6:10 pm
Vladimir
bsse_energy: rtdb_put of nopen failed
5 1983 Jun 5th 12:30 pm
Huub
VSCF: "End of File"
2 1897 Jun 3rd 1:04 pm
Cchang
Memory error when running Nwchem
4 2032 Jun 2nd 12:36 am
USeifert
Running NWChem on KBr using LANL2DZ_ecp shoots error message into the .out file
2 1932 May 28th 9:35 am
Tatireddy
xc_input: invalid format
2 2194 May 23rd 10:36 am
Cchang
dft energy is too high !
0 1551 May 23rd 5:22 am
Neo
ga_scatter_acc:invalid i/j Error
5 1857 May 23rd 2:05 am
Landau
geom_cart_set: too few centers (examples/qmd/3carbo)
2 10688 May 23rd 1:22 am
Stachon
K-points setting in PSPW
0 1308 May 22nd 8:15 pm
Gvtheen
tce_c2_offs: MA problem
3 2103 May 21st 6:11 am
Vladimir
large basis set and printing MO
1 2871 May 13th 2:09 pm
Edoapra
Geometry optimization of Hydronium ion
2 4188 May 12th 2:55 pm
Emh
error while running code to dertermine energy between 2 non-bonded atoms
2 1866 May 9th 2:52 am
Neo
particle mesh ewald (PME) in MD module
0 1826 May 1st 3:05 pm
Tpirojsi
Convergence assumed when restarting with altered bq block
7 2953 Apr 30th 9:07 am
Twk
DFT-SIC: OEP calculations dont converge
3 1962 Apr 29th 6:50 am
Meffyx

Forum >> NWChem's corner >> Running NWChem
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