srDFT_G2/Data
2019-03-13 18:25:09 +01:00
..
aug-cc-pVDZ Initial commit 2018-12-04 15:15:01 +01:00
avdz-bfd Initial commit 2018-12-04 15:15:01 +01:00
Bk3-cc-pVDZ Initial commit 2018-12-04 15:15:01 +01:00
Bk3-cc-pVQZ Initial commit 2018-12-04 15:15:01 +01:00
Bk3-cc-pVTZ Initial commit 2018-12-04 15:15:01 +01:00
Bk4-cc-pVDZ Initial commit 2018-12-04 15:15:01 +01:00
cc-pVDZ Initial commit 2018-12-04 15:15:01 +01:00
cc-pVTZ Initial commit 2018-12-04 15:15:01 +01:00
CIPSI3-cc-pVDZ Initial commit 2018-12-04 15:15:01 +01:00
CIPSI3-cc-pVQZ Initial commit 2018-12-04 15:15:01 +01:00
CIPSI3-cc-pVTZ Initial commit 2018-12-04 15:15:01 +01:00
CIPSI4-cc-pVDZ Initial commit 2018-12-04 15:15:01 +01:00
CIPSI4-cc-pVQZ Initial commit 2018-12-04 15:15:01 +01:00
CIPSI4-cc-pVTZ Initial commit 2018-12-04 15:15:01 +01:00
data_C2 added G2_CIPSI_VDZ_PBE.dat G2_CIPSI_VDZ_PBE_valence.dat 2019-03-06 17:18:56 +01:00
data_last G2_CIPSI_VTZ_PBE_valence.dat and G2_CIPSI_VTZ_PBE.dat are OK 2019-03-13 17:36:13 +01:00
data_sr_dft_new nb 2019-02-28 14:08:23 +01:00
data_srDFT Na Li 2018-12-19 12:10:16 +01:00
vdz-bfd Initial commit 2018-12-04 15:15:01 +01:00
vtz-bfd Initial commit 2018-12-04 15:15:01 +01:00
.DS_Store Initial commit 2018-12-04 15:15:01 +01:00
G2_cc-pVDZ.dat data plain CIPSI 2019-02-28 14:16:20 +01:00
G2_cc-pVTZ.dat data plain CIPSI 2019-02-28 14:16:20 +01:00
mol.list Initial commit 2018-12-04 15:15:01 +01:00
rename.sh Initial commit 2018-12-04 15:15:01 +01:00
VDZ_3.tgz Initial commit 2018-12-04 15:15:01 +01:00
VDZ_4_sBk.tgz Initial commit 2018-12-04 15:15:01 +01:00
VDZ_4.tgz Initial commit 2018-12-04 15:15:01 +01:00
VDZ.pdf graphs with PBE 2019-03-06 21:32:16 +01:00
VQZ_3_sBk.tgz Initial commit 2018-12-04 15:15:01 +01:00
VQZ_3.tgz Initial commit 2018-12-04 15:15:01 +01:00
VTZ_3_sBk.tgz Initial commit 2018-12-04 15:15:01 +01:00
VTZ_3.tgz Initial commit 2018-12-04 15:15:01 +01:00
VTZ.pdf new graph 2019-03-13 18:25:09 +01:00