jianbohit Goto Github PK
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jianbohit's Projects
amset
Electronic transport properties from first-principles calculations
badges
:pencil: Markdown code for lots of small badges :ribbon: :pushpin: (shields.io, forthebadge.com etc) :sunglasses:. Contributions are welcome! Please add yours!
files4te
Define a set of input/output data template files for thermoelectricity(TE)
formulas4te
Summary some formulas and equations for thermoelectricity(TE)
github-cheat-sheet
A list of cool features of Git and GitHub.
gitignore
A collection of useful .gitignore templates
kappafit
A python3 code for the parametric thermal conductivity fitting
kappamin
A python3 code for calculations of the minimum limit to thermal conductivity
mapp_api
Batch calculation for the Materials Properties Prediction project
pyscaffold
🛠 Python project template generator with batteries included
pyvaspflow
vasp calculation flow
qmpy_rester
A toolkit for querying data in OQMD.
rspb
Restructure single parabolic band(SPB) model used for thermoelectricity
sqs2vasp
A python3 code to convert bestsqs.out generated by mcsqs (ATAT) to POSCAR file for VASP
teflow
A python3 package for streamlining thermoelectric workflow from materials to devices
units4te
Define a set of common units for thermoelectricity(TE)
zt-calculator
This spread sheet like calculator finds the Thermometric figure of merit ZT.
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