General BSE Topics

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Locked Sticky: NWChem 6.8 available for dowload
Started By : Edoapra
0 2231 Dec 14th 2:51 pm
Edoapra

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cc-pVXZ basis sets
Started By : Cmk
0 1465 Aug 13th 10:08 am
Cmk
6-311G basis set for transition metals
Started By : Mark
3 2725 Jun 17th 12:20 pm
Mernst
Uploading_sets_error
Started By : Tteodoro
2 29169 May 27th 3:20 am
Tteodoro
cc-pCV6Z for 2nd row (Al-Ar) in error
Started By : Kipeters
13 1504 Apr 14th 7:59 am
Kipeters
misnamed elements in CRENBL ECP basis set
Started By : Mernst
0 1811 Mar 4th 2:42 am
Mernst
hydrogen in aug-cc-pCV5Z
Started By : Mernst
0 1803 Mar 4th 2:32 am
Mernst
basis set with spherical/Cartesian information
Started By : Fenglai
2 2809 Feb 25th 4:47 am
Ahmad.ziaee
def2-QZVP and above
Started By : Alexbalboa
0 2403 Feb 4th 7:07 am
Alexbalboa
Basis Set Database in HDF5 format
Started By : Vladimir
0 2156 Nov 4th 9:23 am
Vladimir
Unable to upload basis set
Started By : Rosebd
1 1918 Oct 25th 2:22 am
Rosebd
using https://bse.pnl.gov/axis/services/BseService?wsdl
Started By : Chemsem
1 3585 Jun 25th 12:41 pm
Mernst
aug-cc-pwcCVTZ basis set for Bromine
Started By : DanielaT
6 3072 Jun 10th 4:15 am
DanielaT
Dalton format
Started By : Tkjaer
3 3094 May 13th 2:16 pm
Huub
ADZP/DZP basis: missing atom and invalid basis data
Started By : Wirawan0
2 3033 May 9th 2:29 pm
Huub
TZP basis missing data
Started By : Wirawan0
1 2002 May 5th 3:13 pm
Huub
pcseg-n
Started By : Frj
5 2515 Apr 25th 11:17 am
Huub
ANO_RCC basis set missing bits
Started By : Lixpas
3 1998 Apr 25th 10:27 am
Huub
formatting problem (ACES II/CFOUR)
Started By : Irikura
2 3200 Dec 9th 3:02 pm
Huub
def2 basis sets
Started By : Mark
3 5099 Nov 25th 12:59 pm
Huub
Apparent error in one d exponent in 6-311G(2df)-type basis sets
Started By : JDWatts
1 3563 Nov 18th 4:00 pm
Huub
Problem accessing BSE through WSDL
Started By : Makowskm
2 2609 Oct 18th 12:55 am
Makowskm
An error in the ANO-RCC/Sb basis functions
Started By : Zork
4 3245 Jul 2nd 1:19 pm
Huub
Error in ANO-RCC Mg and Al
Started By : Jellby
5 2304 Jul 1st 2:19 am
Jellby
error in LanL2tz for Hg
Started By : MCV
1 2523 Mar 25th 12:00 pm
Bert
error in cc-pV(6+d)Z basis set for Sulfur
Started By : Kipeters
1 2517 Mar 18th 1:39 pm
Bert
Bug in Gaussian'94 interface
Started By : Jussilehtola
1 2158 Dec 13th 3:07 pm
Jussilehtola

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