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dft_tools/test/python/elk/elk_convert
AlynJ ce4aed3551
elk-interface bug fixes (#228)
updated the Elk interface to fix some minor bugs which arose for certain systems with equivalent atoms. I've also included new tests for this interface and collated all of these interface tests in the "test/python/elk" subdirectory.
2022-11-10 11:11:28 -05:00
..
EFERMI.OUT elk-interface bug fixes (#228) 2022-11-10 11:11:28 -05:00
EIGVAL.OUT elk-interface bug fixes (#228) 2022-11-10 11:11:28 -05:00
elk_convert.ref.h5 elk-interface bug fixes (#228) 2022-11-10 11:11:28 -05:00
elk.in elk-interface bug fixes (#228) 2022-11-10 11:11:28 -05:00
GEOMETRY.OUT elk-interface bug fixes (#228) 2022-11-10 11:11:28 -05:00
KPOINTS.OUT elk-interface bug fixes (#228) 2022-11-10 11:11:28 -05:00
LATTICE.OUT elk-interface bug fixes (#228) 2022-11-10 11:11:28 -05:00
PROJ.OUT elk-interface bug fixes (#228) 2022-11-10 11:11:28 -05:00
SYMCRYS.OUT elk-interface bug fixes (#228) 2022-11-10 11:11:28 -05:00
WANPROJ_L02_S03_A0001.OUT elk-interface bug fixes (#228) 2022-11-10 11:11:28 -05:00