Chia-Nan Yeh b8a667b3a1 read wannier centres and symmetry kpath from w90 (#253) ... This PR/ commit adds two new features to the w90 converter stored to the h5 archive: 1. Centres of Wannier functions: This can be obtained using the `read_wannier90_centres()` function. This would also be useful if one wants to shift Wannier centres back to the home unit cells on-the-fly in `dft_tool`. 2. High-symmetry k-path for band structure: This can be obtained using the `read_wannier90_symm_kpath()` function. changes: * read wannier centres and symmetry kpath from w90 * [fix] w90convert test after fix for kpt_basis stor --------- Co-authored-by: Alexander Hampel <ahampel@flatironinstitute.org>		2024-06-03 15:00:01 -04:00
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LaVO3-Pbnm_hloc_diag.ref.h5	Elk Transport code and subsequent updates (#229)	2023-01-04 17:16:57 -05:00
LaVO3-Pbnm_hr.dat	Updated W90 converter: bug fixes for SOC, code restructured, more tests for add_lambda and bloch_basis	2022-04-15 10:51:37 -04:00
LaVO3-Pbnm.inp	Updated W90 converter: bug fixes for SOC, code restructured, more tests for add_lambda and bloch_basis	2022-04-15 10:51:37 -04:00
LaVO3-Pnma_ef_hr.dat	Updated W90 converter: bug fixes for SOC, code restructured, more tests for add_lambda and bloch_basis	2022-04-15 10:51:37 -04:00
LaVO3-Pnma_ef.inp	Updated W90 converter: bug fixes for SOC, code restructured, more tests for add_lambda and bloch_basis	2022-04-15 10:51:37 -04:00
LaVO3-Pnma_hr.dat	Updated W90 converter: bug fixes for SOC, code restructured, more tests for add_lambda and bloch_basis	2022-04-15 10:51:37 -04:00
LaVO3-Pnma_lambda.ref.h5	Elk Transport code and subsequent updates (#229)	2023-01-04 17:16:57 -05:00
LaVO3-Pnma_wannier.ref.h5	Elk Transport code and subsequent updates (#229)	2023-01-04 17:16:57 -05:00
LaVO3-Pnma.inp	Updated W90 converter: bug fixes for SOC, code restructured, more tests for add_lambda and bloch_basis	2022-04-15 10:51:37 -04:00
SrVO3_col_band.kpt	read wannier centres and symmetry kpath from w90 (#253)	2024-06-03 15:00:01 -04:00
SrVO3_col_band.labelinfo.dat	read wannier centres and symmetry kpath from w90 (#253)	2024-06-03 15:00:01 -04:00
SrVO3_col_blochbasis.ref.h5	read wannier centres and symmetry kpath from w90 (#253)	2024-06-03 15:00:01 -04:00
SrVO3_col_hr.dat	Updated W90 converter: bug fixes for SOC, code restructured, more tests for add_lambda and bloch_basis	2022-04-15 10:51:37 -04:00
SrVO3_col_u_dis.mat	Updated W90 converter: bug fixes for SOC, code restructured, more tests for add_lambda and bloch_basis	2022-04-15 10:51:37 -04:00
SrVO3_col_u.mat	Updated W90 converter: bug fixes for SOC, code restructured, more tests for add_lambda and bloch_basis	2022-04-15 10:51:37 -04:00
SrVO3_col_wannierbasis.ref.h5	read wannier centres and symmetry kpath from w90 (#253)	2024-06-03 15:00:01 -04:00
SrVO3_col.eig	Updated W90 converter: bug fixes for SOC, code restructured, more tests for add_lambda and bloch_basis	2022-04-15 10:51:37 -04:00
SrVO3_col.inp	Updated W90 converter: bug fixes for SOC, code restructured, more tests for add_lambda and bloch_basis	2022-04-15 10:51:37 -04:00
SrVO3_col.LOCPROJ	Updated W90 converter: bug fixes for SOC, code restructured, more tests for add_lambda and bloch_basis	2022-04-15 10:51:37 -04:00
SrVO3_col.nnkp	Updated W90 converter: bug fixes for SOC, code restructured, more tests for add_lambda and bloch_basis	2022-04-15 10:51:37 -04:00
SrVO3_col.OUTCAR	Updated W90 converter: bug fixes for SOC, code restructured, more tests for add_lambda and bloch_basis	2022-04-15 10:51:37 -04:00
SrVO3_col.wout	Updated W90 converter: bug fixes for SOC, code restructured, more tests for add_lambda and bloch_basis	2022-04-15 10:51:37 -04:00
SrVO3_soc_hr.dat	Updated W90 converter: bug fixes for SOC, code restructured, more tests for add_lambda and bloch_basis	2022-04-15 10:51:37 -04:00
SrVO3_soc.inp	Updated W90 converter: bug fixes for SOC, code restructured, more tests for add_lambda and bloch_basis	2022-04-15 10:51:37 -04:00
SrVO3_soc.ref.h5	Elk Transport code and subsequent updates (#229)	2023-01-04 17:16:57 -05:00
SrVO3_t2g_col_hr.dat	Updated W90 converter: bug fixes for SOC, code restructured, more tests for add_lambda and bloch_basis	2022-04-15 10:51:37 -04:00
SrVO3_t2g_col_lambda.ref.h5	Elk Transport code and subsequent updates (#229)	2023-01-04 17:16:57 -05:00
SrVO3_t2g_col.inp	Updated W90 converter: bug fixes for SOC, code restructured, more tests for add_lambda and bloch_basis	2022-04-15 10:51:37 -04:00