Skip to content

Commit

Permalink
Added k-point weights
Browse files Browse the repository at this point in the history
  • Loading branch information
scemama committed Mar 13, 2024
1 parent f8aad19 commit 5ebbecb
Showing 1 changed file with 10 additions and 8 deletions.
18 changes: 10 additions & 8 deletions trex.org
Original file line number Diff line number Diff line change
Expand Up @@ -123,21 +123,23 @@


#+NAME: pbc
| Variable | Type | Dimensions | Description |
|---------------+---------+------------------------+-------------------------|
| ~periodic~ | ~int~ | | ~1~: true or ~0~: false |
| ~k_point_num~ | ~dim~ | | Number of $k$-points |
| ~k_point~ | ~float~ | ~(3, pbc.k_point_num)~ | $k$-point sampling |
| Variable | Type | Dimensions | Description |
|------------------+---------+------------------------+-------------------------|
| ~periodic~ | ~int~ | | ~1~: true or ~0~: false |
| ~k_point_num~ | ~dim~ | | Number of $k$-points |
| ~k_point~ | ~float~ | ~(3, pbc.k_point_num)~ | $k$-point sampling |
| ~k_point_weight~ | ~float~ | ~(pbc.k_point_num)~ | $k$-point weight |

#+CALL: json(data=pbc, title="pbc")

#+RESULTS:
:results:
#+begin_src python :tangle trex.json
"pbc": {
"periodic" : [ "int" , [] ]
, "k_point_num" : [ "dim" , [] ]
, "k_point" : [ "float", [ "pbc.k_point_num", "3" ] ]
"periodic" : [ "int" , [] ]
, "k_point_num" : [ "dim" , [] ]
, "k_point" : [ "float", [ "pbc.k_point_num", "3" ] ]
, "k_point_weight" : [ "float", [ "pbc.k_point_num" ] ]
} ,
#+end_src
:end:
Expand Down

0 comments on commit 5ebbecb

Please sign in to comment.