I repeat the calculation for two times bu your input provided here, and get the error
...
bas_tag_lib: failed to locate basis li_aug-cc-pv5z in file /.../src/basis/libraries/
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bas_tag_lib: no such basis available 0
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current input line :
54: task dft energy
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bas_tag_lib: failed to locate basis li_aug-cc-pv5z in file /.../src/basis/libraries/
bas_tag_lib: no such basis available 0
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current input line :
0:
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There is an error in the input file
bas_tag_lib: failed to locate basis li_aug-cc-pv5z in file /.../src/basis/libraries/
bas_tag_lib: no such basis available 0
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which means the basis set is not available for Li.
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