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
NEB problem	4	1875	Jul 15th 8:36 am Pavlo4
Solvent	0	1237	Jul 8th 11:38 pm Fariba4
Periodic systems	0	1152	Jul 8th 11:34 pm Fariba4
BSSE monomers with different multiplicity	2	2311	Jul 7th 7:03 am Guillaume
defining multi-atom monomers for BSSE	0	1381	Jul 7th 5:00 am Neo
Freq calculation fails	2	1784	Jun 27th 2:56 pm Sollebac
parameter ot of range in legendre_lm	3	1524	Jun 27th 10:18 am Mernst
Error in NICS computation - hnd_giaox: geom_tag_to_element failed	4	1961	Jun 25th 4:32 pm Huub
Problem about plot of molecular orbital	1	1600	Jun 25th 1:57 pm Huub
Error restarting an optimisation	2	1226	Jun 24th 2:38 pm Ummacles
running CCSD(T) using TCE, ARMCI DASSERT fail	4	1831	Jun 16th 6:48 am Obm
rt-tddft silently refuses to restart,	1	2321	Jun 15th 4:48 am Obm
Is it possible to use CAM-PBE0 with Real Time TDDFT?	0	1489	Jun 13th 8:05 am Obm
Problems with parallel scaling	3	1977	Jun 12th 11:10 pm Vladimir
Spin-Orbit potential	2	1582	Jun 5th 8:13 pm Dan
armci_malloc:malloc 1 failed	7	3353	Jun 5th 6:10 pm Vladimir
bsse_energy: rtdb_put of nopen failed	5	1980	Jun 5th 12:30 pm Huub
VSCF: "End of File"	2	1894	Jun 3rd 1:04 pm Cchang
Memory error when running Nwchem	4	2029	Jun 2nd 12:36 am USeifert
Running NWChem on KBr using LANL2DZ_ecp shoots error message into the .out file	2	1929	May 28th 9:35 am Tatireddy
xc_input: invalid format	2	2191	May 23rd 10:36 am Cchang
dft energy is too high !	0	1548	May 23rd 5:22 am Neo
ga_scatter_acc:invalid i/j Error	5	1854	May 23rd 2:05 am Landau
geom_cart_set: too few centers (examples/qmd/3carbo)	2	10685	May 23rd 1:22 am Stachon
K-points setting in PSPW	0	1305	May 22nd 8:15 pm Gvtheen

Forum >> NWChem's corner >> Running NWChem

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