General BSE Topics

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Announcement's	Replies	Views	Last Action
Sticky: Beta version of NWChem 6.6 available for download Started By : Edoapra	4	696	Oct 9th 7:12 pm Edoapra
NWChem 6.5 has been released Started By : Karol	0	9213	Sep 15th 11:02 am Karol

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Thread Title	Replies	Views	Last Action
Ni ANO-RCC Started By : PrimeFan	4	114	Sep 17th 12:41 pm PrimeFan
cc-pVXZ basis sets Started By : Cmk	0	173	Aug 13th 10:08 am Cmk
6-311G basis set for transition metals Started By : Mark	3	288	Jun 17th 12:20 pm Mernst
Uploading_sets_error Started By : Tteodoro	2	18678	May 27th 3:20 am Tteodoro
cc-pCV6Z for 2nd row (Al-Ar) in error Started By : Kipeters	1	298	Apr 14th 10:35 am Edoapra
misnamed elements in CRENBL ECP basis set Started By : Mernst	0	796	Mar 4th 2:42 am Mernst
hydrogen in aug-cc-pCV5Z Started By : Mernst	0	760	Mar 4th 2:32 am Mernst
basis set with spherical/Cartesian information Started By : Fenglai	2	1574	Feb 25th 4:47 am Ahmad.ziaee
def2-QZVP and above Started By : Alexbalboa	0	931	Feb 4th 7:07 am Alexbalboa
Basis Set Database in HDF5 format Started By : Vladimir	0	1127	Nov 4th 9:23 am Vladimir
Unable to upload basis set Started By : Rosebd	1	995	Nov 2nd 12:43 am Rosebd
using https://bse.pnl.gov/axis/services/BseService?wsdl Started By : Chemsem	1	1955	Jun 25th 12:41 pm Mernst
aug-cc-pwcCVTZ basis set for Bromine Started By : DanielaT	6	1560	Jun 10th 4:15 am DanielaT
Dalton format Started By : Tkjaer	3	1975	May 13th 2:16 pm Huub
ADZP/DZP basis: missing atom and invalid basis data Started By : Wirawan0	2	1757	May 9th 2:29 pm Huub
TZP basis missing data Started By : Wirawan0	1	1048	May 5th 3:13 pm Huub
pcseg-n Started By : Frj	5	1149	Apr 25th 11:17 am Huub
ANO_RCC basis set missing bits Started By : Lixpas	3	1176	Apr 25th 10:27 am Huub
formatting problem (ACES II/CFOUR) Started By : Irikura	2	1923	Dec 9th 3:02 pm Huub
def2 basis sets Started By : Mark	3	2313	Nov 25th 12:59 pm Huub
Apparent error in one d exponent in 6-311G(2df)-type basis sets Started By : JDWatts	1	2386	Nov 18th 4:00 pm Huub
Problem accessing BSE through WSDL Started By : Makowskm	2	1515	Oct 18th 12:55 am Makowskm
An error in the ANO-RCC/Sb basis functions Started By : Zork	4	2344	Jul 2nd 1:19 pm Huub
Error in ANO-RCC Mg and Al Started By : Jellby	5	1571	Jul 1st 2:19 am Jellby
error in LanL2tz for Hg Started By : MCV	1	1814	Mar 25th 12:00 pm Bert

Forum >> BSE: Basis Set Exchange >> General BSE Topics

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