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mirror of https://github.com/TREX-CoE/trexio.git synced 2024-11-03 20:54:07 +01:00
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Anthony Scemama 2024-05-23 17:58:41 +02:00
parent f2a476eff8
commit effc14cb7d

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@ -104,9 +104,9 @@
| ~a~ | ~float~ | ~[3]~ | ~(3)~ | First real space lattice vector | | ~a~ | ~float~ | ~[3]~ | ~(3)~ | First real space lattice vector |
| ~b~ | ~float~ | ~[3]~ | ~(3)~ | Second real space lattice vector | | ~b~ | ~float~ | ~[3]~ | ~(3)~ | Second real space lattice vector |
| ~c~ | ~float~ | ~[3]~ | ~(3)~ | Third real space lattice vector | | ~c~ | ~float~ | ~[3]~ | ~(3)~ | Third real space lattice vector |
| ~G_a~ | ~float~ | ~[3]~ | ~(3)~ | First reciprocal space lattice vector | | ~g_a~ | ~float~ | ~[3]~ | ~(3)~ | First reciprocal space lattice vector |
| ~G_b~ | ~float~ | ~[3]~ | ~(3)~ | Second reciprocal space lattice vector | | ~g_b~ | ~float~ | ~[3]~ | ~(3)~ | Second reciprocal space lattice vector |
| ~G_c~ | ~float~ | ~[3]~ | ~(3)~ | Third reciprocal space lattice vector | | ~g_c~ | ~float~ | ~[3]~ | ~(3)~ | Third reciprocal space lattice vector |
| ~two_pi~ | ~int~ | | | ~0~ or ~1~. If ~two_pi=1~, $2\pi$ is included in the reciprocal vectors. | | ~two_pi~ | ~int~ | | | ~0~ or ~1~. If ~two_pi=1~, $2\pi$ is included in the reciprocal vectors. |
#+CALL: json(data=cell, title="cell") #+CALL: json(data=cell, title="cell")