Sir I Dhilshada V N, frequently use quantum espresso for my research work. I want to construct an input file of the attached file. I want to do scf calculation, optimization and band structure calculation of this system. Please let me know.
with best regards Dhilshada V N
gc4n3-li-1-1-alongx-opt1-9et-band-hse.gjf
Description: Binary data
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