General BSE Topics

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Locked Sticky: Website shutting down on July 31st 2020. Moving to google groups
0 1715 Jun 18th 5:01 pm
Edoapra
Locked Sticky: NWChem 7.0.0 available for dowload
0 13620 Dec 14th 2:51 pm
Edoapra

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Thread Title Replies Views Last Action
cc-pwCVXZ-DK for 2p and 3p block
0 1354 Jun 14th 8:31 am
Yjiao03
Basis set descriptions disappeared
1 2024 Dec 27th 5:55 am
Grandrienko
Web services and/or database access
2 1354 Dec 8th 1:37 pm
Avirshup
missing ccpv basis sets
0 1956 Oct 30th 11:45 am
Edoapra
Ni ANO-RCC
4 2010 Sep 17th 12:41 pm
PrimeFan
cc-pVXZ basis sets
0 2047 Aug 13th 10:08 am
Cmk
6-311G basis set for transition metals
3 3472 Jun 17th 12:20 pm
Mernst
Uploading_sets_error
2 29462 May 27th 3:20 am
Tteodoro
cc-pCV6Z for 2nd row (Al-Ar) in error
13 1838 Apr 14th 7:59 am
Kipeters
misnamed elements in CRENBL ECP basis set
0 2756 Mar 4th 2:42 am
Mernst
hydrogen in aug-cc-pCV5Z
0 2179 Mar 4th 2:32 am
Mernst
basis set with spherical/Cartesian information
2 3389 Feb 25th 4:47 am
Ahmad.ziaee
def2-QZVP and above
0 2932 Feb 4th 7:07 am
Alexbalboa
Basis Set Database in HDF5 format
0 2443 Nov 4th 9:23 am
Vladimir
Unable to upload basis set
1 2194 Oct 25th 2:22 am
Rosebd
using https://bse.pnl.gov/axis/services/BseService?wsdl
1 3962 Jun 25th 12:41 pm
Mernst
aug-cc-pwcCVTZ basis set for Bromine
6 3526 Jun 10th 4:15 am
DanielaT
Dalton format
3 3462 May 13th 2:16 pm
Huub
ADZP/DZP basis: missing atom and invalid basis data
2 3495 May 9th 2:29 pm
Huub
TZP basis missing data
1 2313 May 5th 3:13 pm
Huub
pcseg-n
5 2997 Apr 25th 11:17 am
Huub
ANO_RCC basis set missing bits
3 2327 Apr 25th 10:27 am
Huub
formatting problem (ACES II/CFOUR)
2 3556 Dec 9th 3:02 pm
Huub
def2 basis sets
3 5924 Nov 25th 12:59 pm
Huub
Apparent error in one d exponent in 6-311G(2df)-type basis sets
1 3949 Nov 18th 4:00 pm
Huub

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