General BSE Topics

From NWChem

Jump to: navigation, search

Announcement's Replies Views Last Action
Locked Sticky: NWChem 6.8 available for dowload
Started By : Edoapra
0 1222 Dec 14th 2:51 pm
Edoapra

Jump to page 123Next 25Last
Thread Title Replies Views Last Action
Upload Problem
Started By : MZ
2 66 Aug 1st 10:12 am
Edoapra
Problem in CRENBL ECP (Iron) data in EMSL
Started By : Hideo
3 149 Apr 30th 1:44 am
Hideo
Sulfur Correlation Consistent Inconsistencies
Started By : JonathonM.
2 238 Mar 29th 5:52 am
JonathonM.
cc-PVTZ in Mn,P compatible to cc-PVTZ-pp?
Started By : Sparks
0 201 Mar 22nd 4:36 am
Sparks
def2-QZVP basis set discrepancy in the BSE PNNL compared with the COSMOLOGIC basis set repository
Started By : Alexbalboa
1 355 Nov 16th 4:41 pm
Edoapra
Difficulties uploading basis sets to the BSE
Started By : Aoterodelaroza
4 325 Nov 3rd 4:36 pm
Aoterodelaroza
Pople 2d basis sets
Started By : Niki
2 456 Jul 27th 9:52 am
Niki
Pople basis sets in NWChem 6.6
Started By : Mintmire
4 760 May 12th 10:00 am
Mintmire
different basis set by list of atoms
Started By : Marcel
2 946 Apr 12th 12:54 pm
Marcel
quick question RE:Spin-orbit ECPs (Stuttgart)
Started By : Spinor
1 647 Mar 13th 12:34 pm
Edoapra
Basis set references in the BSE
Started By : Kipeters
1 760 Oct 24th 3:29 pm
Edoapra
redundant cc-pVDZ-DK3 basis sets for lanthanides
Started By : Kipeters
1 745 Oct 14th 3:40 pm
Edoapra
Double Upload
Started By : DanielAravena
2 896 Aug 3rd 6:41 am
DanielAravena
Uploading basis sets
Started By : Kgdyall
1 740 Jul 11th 10:09 am
Edoapra
format problem of MOLCAS with ECP
Started By : Zork
0 828 Jun 21st 1:52 am
Zork
cc-pwCVXZ-DK for 2p and 3p block
Started By : Yjiao03
0 832 Jun 14th 8:31 am
Yjiao03
Basis set descriptions disappeared
Started By : Grandrienko
1 1515 Dec 27th 5:55 am
Grandrienko
Web services and/or database access
Started By : Avirshup
2 815 Dec 8th 1:37 pm
Avirshup
missing ccpv basis sets
Started By : Edoapra
0 1173 Oct 30th 11:45 am
Edoapra
Ni ANO-RCC
Started By : PrimeFan
4 1346 Sep 17th 12:41 pm
PrimeFan
cc-pVXZ basis sets
Started By : Cmk
0 1319 Aug 13th 10:08 am
Cmk
6-311G basis set for transition metals
Started By : Mark
3 2484 Jun 17th 12:20 pm
Mernst
Uploading_sets_error
Started By : Tteodoro
2 29067 May 27th 3:20 am
Tteodoro
cc-pCV6Z for 2nd row (Al-Ar) in error
Started By : Kipeters
13 1398 Apr 14th 7:59 am
Kipeters
misnamed elements in CRENBL ECP basis set
Started By : Mernst
0 1697 Mar 4th 2:42 am
Mernst

Forum >> BSE: Basis Set Exchange >> General BSE Topics
Jump to page 123Next 25Last



Who's here now Members 0 Guests 1 Bots/Crawler 0


AWC's: 2.5.10 MediaWiki - Stand Alone Forum Extension
Forum theme style by: AWC