`output_precalc` should not control the output of `deepks_obase.npy` in DeePKS.

[ErjieWu]

Describe the bug

Currently, when set deepks_bandgap=1, deepks_scf=0 and deepks_out_labels=1, the output file deepks_obase.npy is not output.

Expected behavior

No response

To Reproduce

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Environment

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Additional Context

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[ErjieWu]

Actually for deepks_out_labels=1 but deepks_scf=0, the files named *tot.npy and *base.npy are the same. We do not need two files here. I'll modify the code in deepks-kit to ensure it requires only *tot.npy for first iteration.

[mohanchen]

Sounds great!