| Thread Title |
Replies |
Views |
Last Action |
cc-pVXZ basis sets
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0 |
1945 |
Aug 13th 10:08 am
Cmk |
6-311G basis set for transition metals
|
3 |
3323 |
Jun 17th 12:20 pm
Mernst |
Uploading_sets_error
|
2 |
29401 |
May 27th 3:20 am
Tteodoro |
cc-pCV6Z for 2nd row (Al-Ar) in error
|
13 |
1742 |
Apr 14th 7:59 am
Kipeters |
misnamed elements in CRENBL ECP basis set
|
0 |
2697 |
Mar 4th 2:42 am
Mernst |
hydrogen in aug-cc-pCV5Z
|
0 |
2082 |
Mar 4th 2:32 am
Mernst |
basis set with spherical/Cartesian information
|
2 |
3299 |
Feb 25th 4:47 am
Ahmad.ziaee |
def2-QZVP and above
|
0 |
2823 |
Feb 4th 7:07 am
Alexbalboa |
Basis Set Database in HDF5 format
|
0 |
2378 |
Nov 4th 9:23 am
Vladimir |
Unable to upload basis set
|
1 |
2131 |
Oct 25th 2:22 am
Rosebd |
using https://bse.pnl.gov/axis/services/BseService?wsdl
|
1 |
3865 |
Jun 25th 12:41 pm
Mernst |
aug-cc-pwcCVTZ basis set for Bromine
|
6 |
3437 |
Jun 10th 4:15 am
DanielaT |
Dalton format
|
3 |
3371 |
May 13th 2:16 pm
Huub |
ADZP/DZP basis: missing atom and invalid basis data
|
2 |
3408 |
May 9th 2:29 pm
Huub |
TZP basis missing data
|
1 |
2252 |
May 5th 3:13 pm
Huub |
pcseg-n
|
5 |
2913 |
Apr 25th 11:17 am
Huub |
ANO_RCC basis set missing bits
|
3 |
2249 |
Apr 25th 10:27 am
Huub |
formatting problem (ACES II/CFOUR)
|
2 |
3495 |
Dec 9th 3:02 pm
Huub |
def2 basis sets
|
3 |
5809 |
Nov 25th 12:59 pm
Huub |
Apparent error in one d exponent in 6-311G(2df)-type basis sets
|
1 |
3877 |
Nov 18th 4:00 pm
Huub |
Problem accessing BSE through WSDL
|
2 |
2873 |
Oct 18th 12:55 am
Makowskm |
An error in the ANO-RCC/Sb basis functions
|
4 |
3502 |
Jul 2nd 1:19 pm
Huub |
Error in ANO-RCC Mg and Al
|
5 |
2654 |
Jul 1st 2:19 am
Jellby |
error in LanL2tz for Hg
|
1 |
2721 |
Mar 25th 12:00 pm
Bert |
error in cc-pV(6+d)Z basis set for Sulfur
|
1 |
2715 |
Mar 18th 1:39 pm
Bert |