Intermittent MPI deadlock / MPI_ERR_TRUNCATE in LCAO nscf hybrid functional calculations with`init_chg = dm`

[mohanchen]

Describe the bug

Bug Description

When running LCAO NSCF calculations with hybrid functionals (e.g., HSE) andinit_chg = dm , the program intermittently hangs or crashes with MPI errors. The failure is non-deterministic: the same input may succeed in one run and hang in the next.

Expected behavior

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To Reproduce

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Environment

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Additional Context

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