General BSE Topics

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Announcement's Replies Views Last Action
Bug in Raman code
Started By : Sean 		0 1915 Feb 2nd 6:45 pm
Sean
NWChem 6.6: bug in geometry optimization
Started By : Edoapra 		0 1985 Jan 28th 2:50 pm
Edoapra
Sticky: NWChem 6.6 available for download
Started By : Edoapra 		0 5497 Oct 20th 4:12 pm
Edoapra

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Thread Title Replies Views Last Action
using https://bse.pnl.gov/axis/services/BseService?wsdl
Started By : Chemsem 		1 3018 Jun 25th 12:41 pm
Mernst
aug-cc-pwcCVTZ basis set for Bromine
Started By : DanielaT 		6 2462 Jun 10th 4:15 am
DanielaT
Dalton format
Started By : Tkjaer 		3 2714 May 13th 2:16 pm
Huub
ADZP/DZP basis: missing atom and invalid basis data
Started By : Wirawan0 		2 2637 May 9th 2:29 pm
Huub
TZP basis missing data
Started By : Wirawan0 		1 1676 May 5th 3:13 pm
Huub
pcseg-n
Started By : Frj 		5 1855 Apr 25th 11:17 am
Huub
ANO_RCC basis set missing bits
Started By : Lixpas 		3 1675 Apr 25th 10:27 am
Huub
formatting problem (ACES II/CFOUR)
Started By : Irikura 		2 2783 Dec 9th 3:02 pm
Huub
def2 basis sets
Started By : Mark 		3 4170 Nov 25th 12:59 pm
Huub
Apparent error in one d exponent in 6-311G(2df)-type basis sets
Started By : JDWatts 		1 3051 Nov 18th 4:00 pm
Huub
Problem accessing BSE through WSDL
Started By : Makowskm 		2 2253 Oct 18th 12:55 am
Makowskm
An error in the ANO-RCC/Sb basis functions
Started By : Zork 		4 2945 Jul 2nd 1:19 pm
Huub
Error in ANO-RCC Mg and Al
Started By : Jellby 		5 2064 Jul 1st 2:19 am
Jellby
error in LanL2tz for Hg
Started By : MCV 		1 2267 Mar 25th 12:00 pm
Bert
error in cc-pV(6+d)Z basis set for Sulfur
Started By : Kipeters 		1 2140 Mar 18th 1:39 pm
Bert
Bug in Gaussian'94 interface
Started By : Jussilehtola 		1 1919 Dec 13th 3:07 pm
Jussilehtola
missing diffuse functions in DZP+diffuse basis sets
Started By : Tschumper 		2 2937 Dec 6th 11:24 am
Bert
Verification of new basis sets
Started By : Jussilehtola 		3 2071 Oct 12th 6:34 pm
Bert
Basis Set Library currently offline
Started By : Huub 		2 2874 Aug 27th 2:04 pm
Huub
Stuck after entering reference
Started By : Edoapra 		1 1838 Jun 7th 4:34 pm
Brett

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