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Announcement's	Replies	Views	Last Action
NWChem 6.5 has been released Started By : Karol	0	5268	Sep 15th 11:02 am Karol
Locked Sticky: Anonymous posting on the NWChem forum has been disabled. Please create an account before posting. Started By : Bert	0	7667	Feb 2nd 7:13 pm Bert

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Thread Title	Replies	Views	Last Action
CCSD(2) keyword Started By : P99	2	333	Nov 10th 11:35 pm P99
single point dft energy calculation gives different energies with and without noscf tag Started By : Nwchemy	2	301	Nov 7th 9:36 pm Nwchemy
Printing MO integrals from MP2? Started By : Cmjohns6	0	197	Nov 4th 6:28 pm Cmjohns6
S^2 values from SO-DFT calculations Started By : GuidoG	0	288	Nov 4th 3:08 am GuidoG
Geometry dependent GIAO NMR calculation error Started By : Kristaps	3	223	Nov 4th 2:58 am Kristaps
choice of basis set for amino acid Started By : Neo	0	225	Nov 3rd 5:53 am Neo
diis alternative? Started By : Nwchemy	0	244	Nov 1st 6:35 pm Nwchemy
diis stops after 100 scf runs Started By : Nwchemy	0	163	Nov 1st 6:15 pm Nwchemy
> Plutonium Started By : P99	0	297	Oct 22nd 2:16 pm P99
nbofile Started By : P99	1	277	Oct 16th 9:54 am Rintontin
problem using def2-sv(p) basis Started By : Mhiranya	2	468	Oct 14th 9:07 am Edoapra
optimization fluctuating and running out of cycles Started By : Jbaltrus	1	358	Oct 8th 1:37 pm Jbaltrus
Velocity units geometry Started By : Ars	0	283	Oct 6th 10:37 am Ars
About Patching Nwchem-6.5 Started By : Rintontin	7	433	Oct 5th 11:06 am Rafapa
Installation of nwchem 6.3 version Started By : Uday	4	471	Oct 2nd 3:50 am Nisheal
optimization with light atoms Started By : P99	5	338	Sep 29th 9:57 pm P99
Handling of space groups Started By : P99	2	342	Sep 27th 9:48 am P99
SCS-CCSD optimization Started By : P99	1	382	Sep 25th 1:40 pm Edoapra
Problem with CCSDT(2)_Q Started By : P99	8	481	Sep 23rd 1:07 am P99
MO analysis Started By : Extremis	0	321	Sep 21st 1:08 pm Extremis
SO-DFT stability Started By : Yjiao03	5	422	Sep 19th 3:27 pm Yjiao03
NWChem/Blue gene p/DFT/Density Fitting Started By : Yury	0	320	Sep 11th 3:23 am Yury
Nbo Started By : Zzdbl520	1	419	Sep 11th 2:29 am Zzdbl520
CRENBL spin-orbit ECP Started By : Yjiao03	2	425	Sep 10th 7:28 pm Yjiao03
How to intelligently define parameters for "disp" in DFT calculation? Started By : Kpelzer	0	234	Sep 9th 9:07 am Kpelzer

Forum >> NWChem's corner >> General Topics

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