General Topics

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
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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