[Pw_forum] Unit cell for TMDs
gautamg88 at gmail.com
Tue Feb 6 07:35:11 CET 2018
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.
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