General BSE Topics

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Locked Sticky: NWChem 6.8 available for dowload
Started By : Edoapra
0 175 Dec 14th 1:51 pm
Edoapra

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Thread Title Replies Views Last Action
def2-QZVP basis set discrepancy in the BSE PNNL compared with the COSMOLOGIC basis set repository
Started By : Alexbalboa
1 105 Nov 16th 3:41 pm
Edoapra
Difficulties uploading basis sets to the BSE
Started By : Aoterodelaroza
4 89 Nov 3rd 3:36 pm
Aoterodelaroza
Pople 2d basis sets
Started By : Niki
2 184 Jul 27th 8:52 am
Niki
Pople basis sets in NWChem 6.6
Started By : Mintmire
4 414 May 24th 11:12 am
Mintmire
different basis set by list of atoms
Started By : Marcel
2 562 Apr 12th 11:54 am
Marcel
quick question RE:Spin-orbit ECPs (Stuttgart)
Started By : Spinor
1 322 Mar 13th 11:34 am
Edoapra
Basis set references in the BSE
Started By : Kipeters
1 523 Oct 24th 2:29 pm
Edoapra
redundant cc-pVDZ-DK3 basis sets for lanthanides
Started By : Kipeters
1 465 Oct 14th 2:40 pm
Edoapra
Double Upload
Started By : DanielAravena
2 556 Aug 3rd 5:41 am
DanielAravena
Uploading basis sets
Started By : Kgdyall
1 521 Jul 11th 9:09 am
Edoapra
format problem of MOLCAS with ECP
Started By : Zork
0 470 Jun 21st 12:52 am
Zork
cc-pwCVXZ-DK for 2p and 3p block
Started By : Yjiao03
0 577 Jun 14th 7:31 am
Yjiao03
Basis set descriptions disappeared
Started By : Grandrienko
1 1292 Dec 27th 4:55 am
Grandrienko
Web services and/or database access
Started By : Avirshup
2 630 Dec 8th 12:37 pm
Avirshup
missing ccpv basis sets
Started By : Edoapra
0 917 Oct 30th 10:45 am
Edoapra
Ni ANO-RCC
Started By : PrimeFan
4 1103 Sep 17th 11:41 am
PrimeFan
cc-pVXZ basis sets
Started By : Cmk
0 1067 Aug 13th 9:08 am
Cmk
6-311G basis set for transition metals
Started By : Mark
3 2097 Jun 17th 11:20 am
Mernst
Uploading_sets_error
Started By : Tteodoro
2 28891 May 27th 2:20 am
Tteodoro
cc-pCV6Z for 2nd row (Al-Ar) in error
Started By : Kipeters
13 1242 Apr 14th 6:59 am
Kipeters
misnamed elements in CRENBL ECP basis set
Started By : Mernst
0 1503 Mar 4th 1:42 am
Mernst
hydrogen in aug-cc-pCV5Z
Started By : Mernst
0 1531 Mar 4th 1:32 am
Mernst
basis set with spherical/Cartesian information
Started By : Fenglai
2 2318 Feb 25th 3:47 am
Ahmad.ziaee
def2-QZVP and above
Started By : Alexbalboa
0 1879 Feb 4th 6:07 am
Alexbalboa
Basis Set Database in HDF5 format
Started By : Vladimir
0 1914 Nov 4th 8:23 am
Vladimir

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