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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VSCF PES for a linear molecule
2 2316 May 3rd 12:13 am
Andrewb
pspw_dplot
2 1706 May 2nd 4:16 pm
Makhyoun
Error in input file:
1 1653 Apr 30th 9:07 am
Bert
doubts in input file: error atomscf
1 2944 Apr 30th 9:05 am
Bert
Relativistic basis
1 1754 Apr 30th 9:00 am
Bert
how to output wavefunctions
1 2085 Apr 22nd 3:22 pm
Bert
units for plane wave cutoffs
1 1740 Apr 22nd 8:05 am
Ajpalace
Memory Problem in TDDFT Calculation using NWChem 6.1.1
8 6194 Apr 19th 1:46 am
Davide68
DFT-D3 and CGMIN option
1 1893 Apr 8th 1:13 pm
Huub
Fermi level relative to ...?
0 1897 Apr 8th 6:42 am
Davisneale
How do I post messages containing code?
1 1814 Mar 26th 8:59 am
Bert
ET module
3 2017 Mar 8th 12:51 pm
Bert
which graphic tools should I choose for the output result of NWchem?
10 9920 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 4298 Mar 6th 11:42 am
Huub
NWChem on BlueGene/Q systems, especially Cineca FERMI
1 2022 Mar 5th 9:35 am
Bert
InF3 geometry
1 1946 Feb 25th 11:28 am
Bert
optimization failed
1 2214 Feb 25th 11:25 am
Edoapra
Segmentation fault
2 2693 Feb 25th 11:02 am
Edoapra
ARMCI DASSERT fails when running NWCHEM on 512 cores
1 2040 Feb 19th 11:53 am
Edoapra
NWChem GPU Modules
3 3003 Feb 12th 3:45 pm
Edoapra
How to setup "ecp"?
1 2564 Feb 8th 11:09 am
Edoapra
Lower energy with larger basis set
1 2915 Jan 21st 10:33 am
Bert
Fractional occupation
2 2635 Jan 21st 6:23 am
Vhs
O3LYP and LC-wPBE give different results from G09
3 5133 Jan 17th 1:42 am
Beulahsu
Band structure - bad Brillouin zone
4 3942 Jan 11th 3:40 am
Pecsabi
dynamical reaction coordinate
1 2294 Dec 17th 6:08 pm
Bert

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