mirror of
https://github.com/nwchemgit/nwchem.git
synced 2026-07-27 05:35:37 -04:00
improve accuracy [ci skip]
This commit is contained in:
parent
55658a6ebd
commit
f321c5f366
2 changed files with 1179 additions and 1141 deletions
|
|
@ -107,9 +107,9 @@ end
|
|||
|
||||
|
||||
dft
|
||||
grid fine
|
||||
grid xfine
|
||||
xc b3lyp
|
||||
convergence energy 1d-8
|
||||
convergence energy 1d-9
|
||||
end
|
||||
|
||||
driver
|
||||
|
|
|
|||
File diff suppressed because it is too large
Load diff
Loading…
Add table
Add a link
Reference in a new issue