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11 to 20 of 98 Results
Tab-Delimited - 1.3 KB - MD5: 3a4acda675adf7e5356d3c3e31c1da2e
Nov 22, 2021
Menéndez-Proupin, Eduardo;Grau Crespo, Ricardo, 2021, "Molecular dynamics of halide perovskite alloys",, Repositorio de datos de investigación de la Universidad de Chile, V1
MD simulations run with the CP2K code.
application/x-bzip2 - 1.5 MB - MD5: a003c532ee36729cd9a1486d467994b6
Molecular dynamics data of FAPbBr3.
application/x-bzip2 - 150.0 MB - MD5: c9b7193f5bd70a40946539b1085e3aaa
Molecular dynamics positions of FaPbBr3.
application/x-bzip2 - 104.4 MB - MD5: 36c2f28eb20291bdd367d369471ea609
Molecular dynamics velocities of FaPbBr3.
application/x-bzip2 - 1.5 MB - MD5: 7eb63288dc1783cd21e4417280f08feb
Molecular dynamics data of of (FAPbI3)0.875-(CsPbBr3)0.125. Equilibrated stage is in directory Production for steps > 6000.
application/x-bzip2 - 46.3 MB - MD5: 0631bc56cc937ddb45fa6785c2240d66
MD coordinates of (FAPbI3)0.875-(CsPbBr3)0.125. 10020 fs to 14020 fs.
application/x-bzip2 - 23.4 MB - MD5: b204e05ecaa055ec1c1fba0f19b97e1a
MD coordinates of (FAPbI3)0.875-(CsPbBr3)0.125. 4001 fs to 6020 fs. This is the last part of equilibration stage.
application/x-bzip2 - 46.3 MB - MD5: 767cac968c176c2f8f885318746a2cf5
MD coordinates of (FAPbI3)0.875-(CsPbBr3)0.125. 6021 fs to 10020 fs.
application/x-bzip2 - 32.1 MB - MD5: 2f66f05e607ea3662759d0f579f5bfed
MD velocities of (FAPbI3)0.875-(CsPbBr3)0.125. 10021 fs to 14020 fs.
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