General Topics

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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
Solvent help?
0 1416 Jun 20th 8:18 am
Bunnyslayerz
Difficulties with LC-BLYP functional in TD-DFT?
1 2750 Jun 18th 6:38 am
Niri
Preconditioned conjugate gradient SCF
4 3571 Jun 4th 5:27 pm
Niri
COSMO and UHF?
8 3393 Jun 3rd 12:31 pm
MSiebert
Frequency calculation for C70 fullerene crashing, do not understand error
3 2479 May 28th 9:15 am
Bert
Calculating delta G from frequency calculation.
4 4041 May 13th 3:46 pm
Beckmw
molecular orbitals conversion from .movecs to .txt
2 3055 May 13th 7:51 am
Wl
optimization in DFT-D3
3 4146 May 7th 12:13 pm
Bert
NWChem 7 to be released soon?
1 1847 May 6th 2:46 pm
Jean
VSCF PES for a linear molecule
2 2317 May 3rd 12:13 am
Andrewb
pspw_dplot
2 1707 May 2nd 4:16 pm
Makhyoun
Error in input file:
1 1654 Apr 30th 9:07 am
Bert
doubts in input file: error atomscf
1 2945 Apr 30th 9:05 am
Bert
Relativistic basis
1 1755 Apr 30th 9:00 am
Bert
how to output wavefunctions
1 2086 Apr 22nd 3:22 pm
Bert
units for plane wave cutoffs
1 1741 Apr 22nd 8:05 am
Ajpalace
Memory Problem in TDDFT Calculation using NWChem 6.1.1
8 6195 Apr 19th 1:46 am
Davide68
DFT-D3 and CGMIN option
1 1894 Apr 8th 1:13 pm
Huub
Fermi level relative to ...?
0 1898 Apr 8th 6:42 am
Davisneale
How do I post messages containing code?
1 1815 Mar 26th 8:59 am
Bert
ET module
3 2018 Mar 8th 12:51 pm
Bert
which graphic tools should I choose for the output result of NWchem?
10 9921 Mar 7th 3:06 am
P99
post installation problem "0:0:ga_orthog: hard zero:: 1 and ARMCI DASSERT fail. armci.c:ARMCI_Error
10 4299 Mar 6th 11:42 am
Huub
NWChem on BlueGene/Q systems, especially Cineca FERMI
1 2023 Mar 5th 9:35 am
Bert
InF3 geometry
1 1947 Feb 25th 11:28 am
Bert
optimization failed
1 2215 Feb 25th 11:25 am
Edoapra

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