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dftParameters.cc update
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kartickr committed Dec 20, 2023
1 parent 86da46c commit fceb4c9
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2 changes: 1 addition & 1 deletion utils/dftParameters.cc
Original file line number Diff line number Diff line change
Expand Up @@ -158,7 +158,7 @@ namespace dftfe
"WRITE BANDS",
"false",
dealii::Patterns::Bool(),
"[Standard] Write bands for every k-point to an outputfile called 'bands.out' in the units of Ha. This can be used after GS (Ground-state) or NSCF (Non-Self consistent field iteration) modes of solve. This option is by default on for NSCF mode of solve. Outputs a file name 'bands.out'. The first line has 2 entries with first one denoting the number of k-points and second entry denoting the number of eigenvalues(bands) for each k-point. Subsequent lines have 3 columns with first column indicating the k-point index, second column indicating band index and third column indicating corresponding eigenvalue.");
"[Standard] Write bands for every k-point to an outputfile called 'bands.out' in the units of Ha. This can be used after GS (Ground-state) or NSCF (Non-Self consistent field iteration) modes of solve. This option is by default on for NSCF mode of solve. Outputs a file name 'bands.out'. The first line has 3 entries with first one denoting the number of k-points and second entry denoting the number of eigenvalues(bands) for each k-point and third the fermi energy in Ha. Subsequent lines have 4 columns with first column indicating the k-point index, second column indicating band index, third column indicating corresponding eigenvalue and fourth column indicating the corresponding occupation number.");
}
prm.leave_subsection();

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