PTEROSOR/sfBSE
10
0
Fork 0
Code Issues Pull Requests Releases Wiki Activity

Merge branch 'master' of https://git.irsamc.ups-tlse.fr/loos/sfBSE

Browse Source
This commit is contained in:
Pierre-Francois Loos 2021-01-19 16:52:52 +01:00
commit de86ab0cd6
2 changed files with 38027 additions and 0 deletions
Show Stats Download Patch File Download Diff File Expand all files Collapse all files

10
output/H2/TDDFT/h2_scan_uhf.com Normal file
View File

@ -0,0 +1,10 @@
#P BHandHLYP UHF/cc-pvqz TD=(NStates=10) 6D 10F guess=mix pop=full nosym scan
h2 molecule
0 1
h
h 1 R
R 0.5 70 0.05

38017
output/H2/TDDFT/h2_scan_uhf.log Normal file
View File

File diff suppressed because it is too large Load Diff