LCPQ/DEHam
2
0
Fork 0
mirror of https://github.com/LCPQ/DEHam synced 2024-07-30 09:04:19 +02:00
Code Issues Releases Wiki Activity

update README.

Browse Source
This commit is contained in:
v1j4y 2020-03-16 14:29:35 +01:00
parent 892d5b4584
commit c9b118d0c9
1 changed files with 1 additions and 1 deletions
Show Stats Download Patch File Download Diff File Expand all files Collapse all files

2
README.md
View File

@ -56,7 +56,7 @@ true # Restrict the hole to the 1'st (i.e. half of natom) Family of states.
.1430,-0.20,0.0000 # The three types of links this line gives J, K .1430,-0.20,0.0000 # The three types of links this line gives J, K
.1430,-0.20,0.0000 # .1430,-0.20,0.0000 #
-1.00,0.0,0.00 # This line gives t -1.00,0.0,0.00 # This line gives t
0.,0.,0.,0.,0.,0.,0.,0. # Energy of each orbital 0.,0.,0.,0.,0.,0.,0.,0.,0. # Energy of each orbital + one extra term
2 # The total number of roots 2 # The total number of roots
1 # I The position of the first 1 # I The position of the first
1 # I SBox 1 # I SBox