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(BEDT-TFF)$_2$I$_3$ charge transfer salts are reported to showsuperconductivity and pressure induced quasi two-dimensional Dirac cones at theFermi level. By performing state of the art ab initio calculations in theframework of density functional theory, we investigate the structural andelectronic properties of the three structural phases $\alpha$, $\beta$ and$\kappa$. \edit{We furthermore report about the irreducible representations ofthe corresponding electronic band structures, symmetry of their crystalstructure, and discuss the origin of band crossings. Additionally, we discussthe chemically induced strain in $\kappa$-(BEDT-TTF)$_2$I$_3$ achieved byreplacing the Iodine layer with other Halogens: Fluorine, Bromine and Chlorine.In the case of $\kappa$-(BEDT-TTF)$_2$F$_3$, we identify topologicallyprotected crossings within the band structure. These crossings are forced tooccur due to the non-symmorphic nature of the crystal.} The calculatedelectronic structures presented here are added to the organic materialsdatabase (OMDB).

physical review. b./physical review. b

Structural and electronic properties of  $\alpha,\beta$-(BEDT-TTF)$_2$I$_3$ and $\kappa$-(BEDT-TTF)$_2$X$_3$  (X=I,F,Br,Cl) organic charge transfer salts