mirror of
https://github.com/nwchemgit/nwchem.git
synced 2026-07-28 22:25:48 -04:00
Fix spelling error due to my commit msg
This commit is contained in:
parent
03ee0a3686
commit
04d434ed2d
2 changed files with 8 additions and 8 deletions
|
|
@ -1,7 +1,7 @@
|
|||
echo
|
||||
start nacl
|
||||
|
||||
title "MEP on the 0.002 electon/bohr^3 surface"
|
||||
title "MEP on the 0.002 electron/bohr^3 surface"
|
||||
|
||||
|
||||
geometry nocenter noautoz noautosym
|
||||
|
|
@ -14,7 +14,7 @@ basis
|
|||
* library 6-31g*
|
||||
end
|
||||
|
||||
#This is an example to calculate the MEP on the 0.002 electon/bohr^3 surface.
|
||||
#This is an example to calculate the MEP on the 0.002 electron/bohr^3 surface.
|
||||
#The result will be in an unformatted CUBE.
|
||||
|
||||
property
|
||||
|
|
|
|||
|
|
@ -6,7 +6,7 @@
|
|||
echo
|
||||
start nacl
|
||||
|
||||
title "MEP on the 0.002 electon/bohr^3 surface"
|
||||
title "MEP on the 0.002 electron/bohr^3 surface"
|
||||
|
||||
|
||||
geometry nocenter noautoz noautosym
|
||||
|
|
@ -19,7 +19,7 @@ basis
|
|||
* library 6-31g*
|
||||
end
|
||||
|
||||
#This is an example to calculate the MEP on the 0.002 electon/bohr^3 surface.
|
||||
#This is an example to calculate the MEP on the 0.002 electron/bohr^3 surface.
|
||||
#The result will be in an unformatted CUBE.
|
||||
|
||||
property
|
||||
|
|
@ -111,8 +111,8 @@ task dft property
|
|||
-------------------
|
||||
|
||||
|
||||
MEP on the 0.002 electon/bohr^3 surface
|
||||
---------------------------------------
|
||||
MEP on the 0.002 electron/bohr^3 surface
|
||||
----------------------------------------
|
||||
|
||||
Scaling coordinates for geometry "geometry" by 1.889725989
|
||||
(inverse scale = 0.529177249)
|
||||
|
|
@ -179,7 +179,7 @@ task dft property
|
|||
----------------------
|
||||
|
||||
|
||||
MEP on the 0.002 electon/bohr^3 surface
|
||||
MEP on the 0.002 electron/bohr^3 surface
|
||||
|
||||
itol2e modified to match energy
|
||||
convergence criterion.
|
||||
|
|
@ -188,7 +188,7 @@ task dft property
|
|||
-----------------
|
||||
|
||||
|
||||
MEP on the 0.002 electon/bohr^3 surface
|
||||
MEP on the 0.002 electron/bohr^3 surface
|
||||
|
||||
|
||||
Basis "ao basis" -> "ao basis" (cartesian)
|
||||
|
|
|
|||
Loading…
Add table
Add a link
Reference in a new issue