Alternatives and similar repositories for VASP_HTC_framework

Users that are interested in VASP_HTC_framework are comparing it to the libraries listed below

• VASPsol / VASPsol
  ☆48Updated 3 weeks ago
• penghao-xiao / Electrochemical-barrier
  ☆26Updated 2 years ago
• tamaswells / XDATCAR_toolkit
  XDATCAR_toolkit- A tool for convert XDATCAR to PDB
  ☆60Updated 5 years ago
• mbkumar / pycdt
  ☆50Updated 2 years ago
• FourPhonon / FourPhonon
  An extension module to ShengBTE for computing four-phonon scattering rates and thermal conductivity
  ☆65Updated last year
• yuanyue-liu-group / CP-VASP
  ☆39Updated 7 months ago
• abelcarreras / phonolammps
  LAMMPS interface for phonon calculations using phonopy
  ☆87Updated 8 months ago
• yangjio4849 / TransOpt
  The package TransOpt makes it possible for VASP users to calculate electrical transport properties (Seebeck coefficients, electrical cond…
  ☆54Updated 2 years ago
• QijingZheng / VaspVib2XSF
  Visualize vibrational modes from VASP calculations
  ☆41Updated 3 months ago
• Ionizing / usefultools-for-vasp
  A lite tool for monitoring convergence in VASP relaxation
  ☆16Updated 10 months ago
• skelton-group / Phono3py-Power-Tools
  Tools for Phono(3)py power users.
  ☆33Updated last year
• avishart / CP2K_Editor
  CP2K Editor is a simple GUI for creating input files in the atomistic program CP2K. It is a easy and fast way to create the complex input…
  ☆55Updated 5 years ago
• cndaqiang / DFT-EXERCISES
  DENSITY FUNCTIONAL THEORY EXERCISES. 本习题解答针对 DAVID S. SHOLL 的 Density functional theory: a practical introduction[1]一书。理论依据为密度泛函(DFT)理论，…
  ☆58Updated 3 years ago
• jichunlian / disorder
  A code for generating irreducible site-occupancy configurations
  ☆48Updated last year
• kavanase / vaspup2.0
  VASP Convergence Testing (for Energy & Dielectric Constants)
  ☆54Updated last year
• kumagai-group / pydefect
  Python library for point-defect calculations in non-metallic solids based on first-principle calculations with the VASP code.
  ☆58Updated last week
• SMTG-Bham / ShakeNBreak
  Defect structure-searching employing chemically-guided bond distortions
  ☆92Updated this week
• Ionizing / rsgrad
  A VASP calculation monitor. Written in Rust
  ☆28Updated 4 months ago
• xinqian-mit / API_Phonons
  This API_Phonons is a set of python scripts and functions for interfacing different packages for phonon modeling.
  ☆29Updated last month
• mogroupumd / aimd
  ☆41Updated 6 years ago
• YueyuZhang / IM2ODE
  Inverse Design of Materials by Multi-objective Differential Evolution
  ☆47Updated 5 years ago
• chenggroup / new-comer-tutorial
  新生入学培训资料
  ☆19Updated 2 years ago
• SMTG-Bham / surfaxe
  Dealing with slabs for first principles calculations of surfaces
  ☆63Updated last year
• michelegalasso / automag
  Automatic search for the most stable magnetic state of a given structure
  ☆22Updated last year
• gabkrenzer / PhononFlow
  A collection of tips, scripts, tools, and files to enable a better workflow for phonon calculations using VASP and phonopy.
  ☆34Updated 2 years ago
• WatsonGroupTCD / Occupation-matrix-control-in-VASP
  Occupation matrix control modification VASP
  ☆46Updated 5 years ago
• rehnd / VASP-plot-modes
  Tool for plotting modes generated by DFPT calculations (IBRION=7 or 8) in VASP
  ☆32Updated last year
• yh-phys / vasp_tools
  Some useful vasp scripts and tools
  ☆22Updated 5 years ago
• QijingZheng / Hefei-NAMD
  ab-initio nonadiabatic molecular dynamics program
  ☆105Updated 11 months ago
• bigd4 / PyNEP
  A python interface of NEP
  ☆52Updated 4 months ago