General BSE Topics

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Announcement's Replies Views Last Action
Bug in Raman code
Started By : Sean
0 1844 Feb 2nd 6:45 pm
Sean
NWChem 6.6: bug in geometry optimization
Started By : Edoapra
0 1912 Jan 28th 2:50 pm
Edoapra
Sticky: NWChem 6.6 available for download
Started By : Edoapra
0 5378 Oct 20th 4:12 pm
Edoapra

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Thread Title Replies Views Last Action
Pople 2d basis sets
Started By : Niki
2 54 Jul 27th 9:52 am
Niki
Pople basis sets in NWChem 6.6
Started By : Mintmire
4 226 May 24th 12:12 pm
Mintmire
different basis set by list of atoms
Started By : Marcel
2 428 Apr 12th 12:54 pm
Marcel
quick question RE:Spin-orbit ECPs (Stuttgart)
Started By : Spinor
1 225 Mar 13th 12:34 pm
Edoapra
Basis set references in the BSE
Started By : Kipeters
1 419 Oct 24th 3:29 pm
Edoapra
redundant cc-pVDZ-DK3 basis sets for lanthanides
Started By : Kipeters
1 324 Oct 14th 3:40 pm
Edoapra
Double Upload
Started By : DanielAravena
2 395 Aug 3rd 6:41 am
DanielAravena
Uploading basis sets
Started By : Kgdyall
1 417 Jul 11th 10:09 am
Edoapra
format problem of MOLCAS with ECP
Started By : Zork
0 376 Jun 21st 1:52 am
Zork
cc-pwCVXZ-DK for 2p and 3p block
Started By : Yjiao03
0 455 Jun 14th 8:31 am
Yjiao03
Basis set descriptions disappeared
Started By : Grandrienko
1 1182 Dec 27th 5:55 am
Grandrienko
Web services and/or database access
Started By : Avirshup
2 572 Dec 8th 1:37 pm
Avirshup
missing ccpv basis sets
Started By : Edoapra
0 749 Oct 30th 11:45 am
Edoapra
Ni ANO-RCC
Started By : PrimeFan
4 978 Sep 17th 12:41 pm
PrimeFan
cc-pVXZ basis sets
Started By : Cmk
0 937 Aug 13th 10:08 am
Cmk
6-311G basis set for transition metals
Started By : Mark
3 1868 Jun 17th 12:20 pm
Mernst
Uploading_sets_error
Started By : Tteodoro
2 28782 May 27th 3:20 am
Tteodoro
cc-pCV6Z for 2nd row (Al-Ar) in error
Started By : Kipeters
13 1099 Apr 14th 7:59 am
Kipeters
misnamed elements in CRENBL ECP basis set
Started By : Mernst
0 1429 Mar 4th 2:42 am
Mernst
hydrogen in aug-cc-pCV5Z
Started By : Mernst
0 1421 Mar 4th 2:32 am
Mernst
basis set with spherical/Cartesian information
Started By : Fenglai
2 2200 Feb 25th 4:47 am
Ahmad.ziaee
def2-QZVP and above
Started By : Alexbalboa
0 1759 Feb 4th 7:07 am
Alexbalboa
Basis Set Database in HDF5 format
Started By : Vladimir
0 1812 Nov 4th 9:23 am
Vladimir
Unable to upload basis set
Started By : Rosebd
1 1599 Nov 2nd 12:43 am
Rosebd
using https://bse.pnl.gov/axis/services/BseService?wsdl
Started By : Chemsem
1 2990 Jun 25th 12:41 pm
Mernst

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