├── .gitignore ├── CherN.py ├── LICENSE ├── WloopPHI.py ├── berrypi ├── calculations.py ├── config.py ├── convunits.py ├── errorCheck.py ├── mmn2pathphase.py ├── parsing.py ├── pathphase_difference.py ├── readme.org ├── rmerror.py ├── submoduleProcess.py ├── testerror.py ├── tutorials ├── run_tutor.sh ├── tutorial1 │ ├── lambda0 │ │ └── lambda0.struct │ ├── lambda1 │ │ └── lambda1.struct │ └── readme.txt ├── tutorial2 │ ├── lambda1 │ │ └── lambda1.struct │ ├── lambda2 │ │ └── lambda2.struct │ └── readme.txt ├── tutorial3 │ ├── GaAs1 │ │ └── GaAs1.struct │ ├── GaAs2 │ │ └── GaAs2.struct │ └── readme.txt ├── tutorial4 │ ├── GaN-W │ │ └── GaN-W.struct │ ├── GaN-ZB │ │ └── GaN-ZB.struct │ └── readme.txt ├── tutorial5 │ ├── TaAs.klist_band │ ├── TaAs.struct │ └── readme.txt ├── tutorial6 │ ├── Te.klist_band │ ├── Te.struct │ └── readme.txt └── tutorial7 │ └── Bi2Se3.struct ├── utils ├── WloopIN.py └── write_inwf_lapw ├── vec2cart.py ├── version.info ├── wcc.py ├── wiki ├── GaN-W.PNG ├── GaN-ZB.PNG ├── TaAs │ ├── TaAs.jpg │ ├── TaAs.struct │ ├── TaAsBS.jpg │ ├── TaAsBandCrossing.jpg │ ├── TaAs_ChernNumber.jpg │ ├── TaAs_Conventional.png │ └── Xcrysden_screenshot.jpg ├── Te │ ├── BZ-k-path.PNG │ ├── BZ-loop.PNG │ ├── band-struct-zoom.png │ ├── band-struct.PNG │ ├── berry-phase-explained.PNG │ ├── berry-phase.PNG │ └── structure.PNG ├── screenshot-WCC.png └── screenshot-polarization.png └── win2nnkp.py /.gitignore: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/rubel75/BerryPI/HEAD/.gitignore -------------------------------------------------------------------------------- /CherN.py: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/rubel75/BerryPI/HEAD/CherN.py -------------------------------------------------------------------------------- /LICENSE: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/rubel75/BerryPI/HEAD/LICENSE -------------------------------------------------------------------------------- /WloopPHI.py: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/rubel75/BerryPI/HEAD/WloopPHI.py -------------------------------------------------------------------------------- /berrypi: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/rubel75/BerryPI/HEAD/berrypi -------------------------------------------------------------------------------- /calculations.py: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/rubel75/BerryPI/HEAD/calculations.py -------------------------------------------------------------------------------- /config.py: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/rubel75/BerryPI/HEAD/config.py -------------------------------------------------------------------------------- /convunits.py: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/rubel75/BerryPI/HEAD/convunits.py -------------------------------------------------------------------------------- /errorCheck.py: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/rubel75/BerryPI/HEAD/errorCheck.py -------------------------------------------------------------------------------- /mmn2pathphase.py: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/rubel75/BerryPI/HEAD/mmn2pathphase.py -------------------------------------------------------------------------------- /parsing.py: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/rubel75/BerryPI/HEAD/parsing.py -------------------------------------------------------------------------------- /pathphase_difference.py: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/rubel75/BerryPI/HEAD/pathphase_difference.py -------------------------------------------------------------------------------- /readme.org: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/rubel75/BerryPI/HEAD/readme.org -------------------------------------------------------------------------------- /rmerror.py: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/rubel75/BerryPI/HEAD/rmerror.py -------------------------------------------------------------------------------- /submoduleProcess.py: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/rubel75/BerryPI/HEAD/submoduleProcess.py -------------------------------------------------------------------------------- /testerror.py: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/rubel75/BerryPI/HEAD/testerror.py -------------------------------------------------------------------------------- /tutorials/run_tutor.sh: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/rubel75/BerryPI/HEAD/tutorials/run_tutor.sh -------------------------------------------------------------------------------- /tutorials/tutorial1/lambda0/lambda0.struct: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/rubel75/BerryPI/HEAD/tutorials/tutorial1/lambda0/lambda0.struct -------------------------------------------------------------------------------- /tutorials/tutorial1/lambda1/lambda1.struct: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/rubel75/BerryPI/HEAD/tutorials/tutorial1/lambda1/lambda1.struct -------------------------------------------------------------------------------- /tutorials/tutorial1/readme.txt: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/rubel75/BerryPI/HEAD/tutorials/tutorial1/readme.txt -------------------------------------------------------------------------------- /tutorials/tutorial2/lambda1/lambda1.struct: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/rubel75/BerryPI/HEAD/tutorials/tutorial2/lambda1/lambda1.struct -------------------------------------------------------------------------------- /tutorials/tutorial2/lambda2/lambda2.struct: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/rubel75/BerryPI/HEAD/tutorials/tutorial2/lambda2/lambda2.struct -------------------------------------------------------------------------------- /tutorials/tutorial2/readme.txt: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/rubel75/BerryPI/HEAD/tutorials/tutorial2/readme.txt -------------------------------------------------------------------------------- /tutorials/tutorial3/GaAs1/GaAs1.struct: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/rubel75/BerryPI/HEAD/tutorials/tutorial3/GaAs1/GaAs1.struct -------------------------------------------------------------------------------- /tutorials/tutorial3/GaAs2/GaAs2.struct: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/rubel75/BerryPI/HEAD/tutorials/tutorial3/GaAs2/GaAs2.struct -------------------------------------------------------------------------------- /tutorials/tutorial3/readme.txt: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/rubel75/BerryPI/HEAD/tutorials/tutorial3/readme.txt -------------------------------------------------------------------------------- /tutorials/tutorial4/GaN-W/GaN-W.struct: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/rubel75/BerryPI/HEAD/tutorials/tutorial4/GaN-W/GaN-W.struct -------------------------------------------------------------------------------- /tutorials/tutorial4/GaN-ZB/GaN-ZB.struct: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/rubel75/BerryPI/HEAD/tutorials/tutorial4/GaN-ZB/GaN-ZB.struct -------------------------------------------------------------------------------- /tutorials/tutorial4/readme.txt: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/rubel75/BerryPI/HEAD/tutorials/tutorial4/readme.txt -------------------------------------------------------------------------------- /tutorials/tutorial5/TaAs.klist_band: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/rubel75/BerryPI/HEAD/tutorials/tutorial5/TaAs.klist_band -------------------------------------------------------------------------------- /tutorials/tutorial5/TaAs.struct: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/rubel75/BerryPI/HEAD/tutorials/tutorial5/TaAs.struct -------------------------------------------------------------------------------- /tutorials/tutorial5/readme.txt: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/rubel75/BerryPI/HEAD/tutorials/tutorial5/readme.txt -------------------------------------------------------------------------------- /tutorials/tutorial6/Te.klist_band: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/rubel75/BerryPI/HEAD/tutorials/tutorial6/Te.klist_band -------------------------------------------------------------------------------- /tutorials/tutorial6/Te.struct: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/rubel75/BerryPI/HEAD/tutorials/tutorial6/Te.struct -------------------------------------------------------------------------------- /tutorials/tutorial6/readme.txt: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/rubel75/BerryPI/HEAD/tutorials/tutorial6/readme.txt -------------------------------------------------------------------------------- /tutorials/tutorial7/Bi2Se3.struct: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/rubel75/BerryPI/HEAD/tutorials/tutorial7/Bi2Se3.struct -------------------------------------------------------------------------------- /utils/WloopIN.py: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/rubel75/BerryPI/HEAD/utils/WloopIN.py -------------------------------------------------------------------------------- /utils/write_inwf_lapw: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/rubel75/BerryPI/HEAD/utils/write_inwf_lapw -------------------------------------------------------------------------------- /vec2cart.py: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/rubel75/BerryPI/HEAD/vec2cart.py -------------------------------------------------------------------------------- /version.info: -------------------------------------------------------------------------------- 1 | +++Version Nov 14, 2024 2 | -------------------------------------------------------------------------------- /wcc.py: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/rubel75/BerryPI/HEAD/wcc.py -------------------------------------------------------------------------------- /wiki/GaN-W.PNG: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/rubel75/BerryPI/HEAD/wiki/GaN-W.PNG -------------------------------------------------------------------------------- /wiki/GaN-ZB.PNG: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/rubel75/BerryPI/HEAD/wiki/GaN-ZB.PNG -------------------------------------------------------------------------------- /wiki/TaAs/TaAs.jpg: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/rubel75/BerryPI/HEAD/wiki/TaAs/TaAs.jpg -------------------------------------------------------------------------------- /wiki/TaAs/TaAs.struct: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/rubel75/BerryPI/HEAD/wiki/TaAs/TaAs.struct -------------------------------------------------------------------------------- /wiki/TaAs/TaAsBS.jpg: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/rubel75/BerryPI/HEAD/wiki/TaAs/TaAsBS.jpg -------------------------------------------------------------------------------- /wiki/TaAs/TaAsBandCrossing.jpg: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/rubel75/BerryPI/HEAD/wiki/TaAs/TaAsBandCrossing.jpg -------------------------------------------------------------------------------- /wiki/TaAs/TaAs_ChernNumber.jpg: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/rubel75/BerryPI/HEAD/wiki/TaAs/TaAs_ChernNumber.jpg -------------------------------------------------------------------------------- /wiki/TaAs/TaAs_Conventional.png: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/rubel75/BerryPI/HEAD/wiki/TaAs/TaAs_Conventional.png -------------------------------------------------------------------------------- /wiki/TaAs/Xcrysden_screenshot.jpg: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/rubel75/BerryPI/HEAD/wiki/TaAs/Xcrysden_screenshot.jpg -------------------------------------------------------------------------------- /wiki/Te/BZ-k-path.PNG: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/rubel75/BerryPI/HEAD/wiki/Te/BZ-k-path.PNG -------------------------------------------------------------------------------- /wiki/Te/BZ-loop.PNG: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/rubel75/BerryPI/HEAD/wiki/Te/BZ-loop.PNG -------------------------------------------------------------------------------- /wiki/Te/band-struct-zoom.png: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/rubel75/BerryPI/HEAD/wiki/Te/band-struct-zoom.png -------------------------------------------------------------------------------- /wiki/Te/band-struct.PNG: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/rubel75/BerryPI/HEAD/wiki/Te/band-struct.PNG -------------------------------------------------------------------------------- /wiki/Te/berry-phase-explained.PNG: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/rubel75/BerryPI/HEAD/wiki/Te/berry-phase-explained.PNG -------------------------------------------------------------------------------- /wiki/Te/berry-phase.PNG: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/rubel75/BerryPI/HEAD/wiki/Te/berry-phase.PNG -------------------------------------------------------------------------------- /wiki/Te/structure.PNG: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/rubel75/BerryPI/HEAD/wiki/Te/structure.PNG -------------------------------------------------------------------------------- /wiki/screenshot-WCC.png: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/rubel75/BerryPI/HEAD/wiki/screenshot-WCC.png -------------------------------------------------------------------------------- /wiki/screenshot-polarization.png: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/rubel75/BerryPI/HEAD/wiki/screenshot-polarization.png -------------------------------------------------------------------------------- /win2nnkp.py: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/rubel75/BerryPI/HEAD/win2nnkp.py --------------------------------------------------------------------------------