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
SODFT collinear or non-collinear xc contribution?	2	829	Mar 21st 2:47 am Jacques D
Oscillating energy in DFT; system does not converge	0	1045	Mar 8th 1:19 am Ankit
RI-MP2 tutorial	0	807	Feb 28th 10:50 pm P99
Number of electrons from Molden	8	1265	Feb 24th 5:47 am Bikash
SCF convergence problems	2	1210	Feb 21st 4:29 pm Edoapra
esp ABS deviation %	0	641	Feb 16th 12:31 am P99
QA/doqmtests.mpi failures	2	864	Feb 8th 2:42 am Jasno
instruction for carrying out UHF calculations of H2 molecule	2	1170	Jan 30th 9:23 pm Ypwang
BSSE energy negative value	3	1014	Jan 26th 10:33 am Edoapra
Apparent bug in Hartree-Fock energies for selected cases with diffuse basis sets	2	980	Jan 23rd 4:03 am Ctu
ga_print	2	954	Jan 23rd 2:04 am Jacques D
oscillator strength for EOM-CC	1	1010	Dec 23rd 2:29 am Michaelm
write-failed error on large systems	3	1105	Dec 21st 3:45 pm Samarjeet
Regarding generation of output file	1	728	Dec 18th 8:53 am Samarjeet
COSMO-SMD optimization of large systems	0	818	Dec 18th 8:07 am Samarjeet
NWChem 6.6-27746 error with aug-cc-pvdz but not with 6-31g	9	1310	Dec 13th 2:15 pm Twotoneblue
Third release candidate for NWChem 6.8 available	7	3184	Dec 3rd 4:06 pm Edoapra
NWChem 6.6 -segmentation fault	0	966	Nov 29th 11:10 pm Akrish
TAMD	0	866	Nov 12th 3:47 am Silvio
cvr_scaling bug in zcoord	1	944	Nov 6th 1:18 pm Edoapra
Use RT-TDDFT to Explore Phosphorescence	2	1261	Nov 2nd 4:42 am Sean
Long range Hartree fock.	0	765	Oct 7th 11:00 am Bikash Patra
meta-gga tddft	1	763	Sep 28th 10:42 am Subrata.jana
TD-DFT excitation energies of neutral molecules	0	992	Sep 27th 8:07 am Orestis
Reading charge density	2	1057	Sep 12th 9:05 am Bikash

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