Quantum expresso band calculation error ! task # 0 from find_letter_coordinate : error # 1 Letter not recognized S ?

21 November 2023 0 7K Report

Hi everyone I am doing my DFT calculation . I did the scf calculation , nscf and dos calculation. But when I do the band calculation I got an error . Can anyone help me with this problem.

I used occupation =smearing , smearing=fermidirac and use the crystal_b as the Kpoints.

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