Sir I Dhilshada V N, frequently use quantum espresso for my research work. I want to construct input files of the attached files. I want to do scf calculation, optimization and band structure calculation of these four systems. Please let me know.
with best regards Dhilshada V N
gc4n3-li-1-1-alongx-opt1-9et-band-hse.gjf
Description: Binary data
gc4n3-li-2-2-b3lyp-alongx-opt1-10et-band-hse.gjf
Description: Binary data
gc4n3-li-3-3-alongx-opt1-11et-band-hse.gjf
Description: Binary data
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