Known issues: Difference between revisions
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| 2021-05-28 ||style = "background:#EAAEB2"| 6.2.0 ||style = "background:# | | 2021-05-28 ||style = "background:#EAAEB2"| 6.2.0 ||style = "background:#ACE9E5"| 6.3.0 || | ||
'''Bug in interface with Wannier90 writing UNK when exclude_bands present''': The UNK files generated by VASP include all bands where bands specified by `exclude_bands` should be excluded. | '''Bug in interface with Wannier90 writing UNK when exclude_bands present''': The UNK files generated by VASP include all bands where bands specified by `exclude_bands` should be excluded. | ||
The fix is to pass the `exclude_bands` array to `get_wave_functions` in mlwf.F. Thanks to Chengcheng Xiao for reporting this [https://vasp.at/forum/viewtopic.php?f=3&t=18140 bug]. | The fix is to pass the `exclude_bands` array to `get_wave_functions` in mlwf.F. Thanks to Chengcheng Xiao for reporting this [https://vasp.at/forum/viewtopic.php?f=3&t=18140 bug]. | ||
Revision as of 09:20, 4 April 2022
Below we provide an incomplete list of known issues. Please mind the description to see whether the issue has been fixed.
Color legend: Open Resolved Planned Obsolete
| Date | Version first noticed | Version fixed | Description |
|---|---|---|---|
| 2022-02-04 | 6.3.0 | 6.3.1 |
Incompatibility with Fujitsu compiler: Fujitsu's Fortran compiler does not support overloaded internal subroutines. A simple workaround is to compile without machine learning capabilities. Comment out the macro definition of |
| 2022-03-14 | 6.2.0 | 6.3.1 |
Bug in interface with Wannier90 for non-collinear spin calculations: The spin axis for non-collinear spin calculations is not correctly read from the wannier90 input file. This is because this line in the |
| 2021-05-28 | 6.2.0 | 6.3.0 |
Bug in interface with Wannier90 writing UNK when exclude_bands present: The UNK files generated by VASP include all bands where bands specified by `exclude_bands` should be excluded. The fix is to pass the `exclude_bands` array to `get_wave_functions` in mlwf.F. Thanks to Chengcheng Xiao for reporting this bug.
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