calculations.zip
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calculations
CO2_to_CO2s_VASP
.complete_data
300 Bytes
.zip
1.5 MB
create_structures.py
601 Bytes
databases
CO2_to_CO2s_VASP.db
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low_conc
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EIGENVAL
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IBZKPT
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OUTCAR
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ase-sort.dat
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init.traj
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run_vasp.py
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vasp.out
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ase-sort.dat
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ase-sort.dat
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acidic_H_to_H2_GPAW
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