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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
Please Help... Script is not working Started By : Grad	0	496	Nov 29th 10:55 am Grad
ECCE: Number of shell charges doesn't match basis set Started By : Galo	0	569	Nov 22nd 9:27 pm Galo
center is neither atom nor bq Started By : Grad	1	541	Nov 15th 10:42 am Grad
Dihedral Parameterization Started By : Grad	0	485	Nov 11th 8:41 am Grad
RESP Started By : Grad	2	555	Nov 11th 8:28 am Grad
cgmin and occup Started By : Andreas	2	4411	Nov 9th 2:36 am Andreas
How to calculate polarizability Started By : NWfmohri	2	1335	Nov 1st 7:02 pm NWfmohri
NWCHEM 4.5 Started By : Grad	1	473	Oct 25th 9:29 am Grad
Output file Analysis Started By : Grad	3	664	Oct 25th 9:05 am Grad
NWChem 6.3 PSPW Car-Parrinello Problem Started By : Frank d	0	607	Oct 23rd 7:28 am Frank d
Understanding Gaussian cube output of total density using DPLOT Started By : Kpelzer	1	1136	Oct 17th 3:21 pm Edoapra
plt files from nwchem Started By : Cnrowley	5	1949	Oct 17th 6:19 am Hhg
error dft_inpana: non-integral # of electrons ? Started By : Mlozano	2	722	Oct 16th 7:34 pm Mlozano
error about input Started By : Mlozano	4	691	Oct 16th 7:33 pm Mlozano
NBO dipole analysis Started By : P99	0	609	Oct 8th 3:49 am P99
Charge on each entity Started By : Alexx	1	596	Oct 7th 2:23 pm Niri
What are the function calls necessary to get basis set and geometry handles? Started By : WillEverett	1	500	Oct 7th 2:21 pm Niri
strange behavior on Driver module Started By : Varnon	2	609	Sep 27th 2:05 am Varnon
A error about: task sodft energy Started By : Hugh	6	1051	Sep 20th 6:21 pm Edoapra
Run job with ANO-RCC basis set Started By : Alexx	1	912	Sep 16th 9:34 am Edoapra
Lowdin population analysis Started By : Mahbub03	2	691	Sep 13th 3:31 pm Mahbub03
failed dft optimize Started By : Kong720	1	529	Sep 13th 9:58 am Edoapra
CDFT convergence issue Started By : Mahbub03	0	851	Sep 9th 1:16 pm Mahbub03
Mulliken analysis help Started By : P99	0	986	Sep 3rd 5:06 am P99
How to get the open shell singlet state (singlet biradical) of ozone (O3) Started By : Guest -	14	6432	Sep 3rd 3:00 am Shahabnaghavi

Forum >> NWChem's corner >> General Topics

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