Formic acid adsorption (building supercell) ==================================== Introduction ------------ This example is used to demonstrate the functionality of building supercell and multilayer slab with formic acid on Cu-doped Pt substrate, contributed by RxChen. Inputs ------ The content of input file is as follow: .. code-block:: StrucInfo: struct: element: Au lattice_type: fcc lattice_constant: 4.16 facet: ['111'] supercell: [6,6] layers: 8 dope: Cu: ['1'] Model: ads: - ['HCOOH',1] In the directory where the yaml file is located, use the command line to enter ``htmat ads`` to generate 4 vasp structure files. Results ------- 4 vasp structure files are generated. The visualization results generated by VESTA are as follow: * **One of these visualizations are shown here** - Top view .. image:: image/Formic_acid_spcell/Au_Cu_111_1_HCOOH_top.png :width: 20cm - Front view .. image:: image/Formic_acid_spcell/Au_Cu_111_1_HCOOH_front.png :width: 20cm - Main view .. image:: image/Formic_acid_spcell/Au_Cu_111_1_HCOOH_main.png :width: 20cm