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10 search results found

Python library to compute different properties of quantum tight binding models in a lattice

Masci Tools ⭐ 17

Post-processing toolkit for electronic structure calculations

FDF files for relaxation, PDOS and Denchar calculations in SIESTA 4.0.2 version as well as 4.1v and PSML supported version

Matplotlib wrapper for WIEN2k post-processing

Py.guanjihuan.com ⭐ 8

Bzmeshbandsdos ⭐ 6

Band Structure and Density of States computation of the Brillouin Zone.

Widget Bandsplot ⭐ 5

A Jupyter widget to plot bandstructure and density of states.

Vasprocar Python Tools For Dft Calculations ⭐ 5

Python 3 code for extracting information and results from the following VASP output files (CONTCAR, KPOINTS, OUTCAR, PROCAR, DOSCAR, LOCPOT, PARCHG and vasprun.xml) or QE output files (scf.in, scf.out, nscf.in, nscf.out, bands.in, bands.out, projwfc.in, projwfc.out, "filband", "filproj".projwfc_up and "filpdos".pdos_atm#_wfc).

Vasp Dos Plots ⭐ 5

This code is to plot the projected density of states (Spin pol. + SO) from the VASP output file. It requires only POSCAR, DOSCAR files.

Automate the discovery of stable 2D materials stacked on substrates (either another 2d or substrate surface)! Compute the properties of the interacting system!

Related Searches

Python Density Of States (7)

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Plotting Density Of States (3)

Vasp Density Of States (3)

Solid State Physics Density Of States (3)

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