Hello All, I am new to Quantum Espresso and in general to DFT and I want to calculate band structures for monolayers 2H-TMDs ( MoS2, MoSe2,WS2,WSe2 áńd MoTe2). Can anyone tell me where I can find the lattice constants and atomic positions ? I know that I can create the unit cell for monolayers from bulk but I am not able to obtain the details for bulk as well. Any help would be appreciated.
Thank you Gautam Sent from my iPhone _______________________________________________ Pw_forum mailing list [email protected] http://pwscf.org/mailman/listinfo/pw_forum
