Dear Gautam, here is a link:
http://lmgtfy.com/?q=crystal+structure+TMDs or if you don't have access to Google you can also use: http://lmgtfy.com/?s=b&q=Crystal+structure+TMDs Regards Thomas Zitat von Gautam Gaddemane <[email protected]>: > 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 -- Dr. rer. nat. Thomas Brumme Wilhelm-Ostwald-Institute for Physical and Theoretical Chemistry Leipzig University Phillipp-Rosenthal-Strasse 31 04103 Leipzig Tel: +49 (0)341 97 36456 email: [email protected] _______________________________________________ Pw_forum mailing list [email protected] http://pwscf.org/mailman/listinfo/pw_forum
