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TDDFT branch segfault #1949

@ESROAMER

Description

@ESROAMER

Describe the bug

I was doing some tddft calculation with abacus-develop under the new tddft branch. All of them Interupt like this:
= BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES
= PID 141248 RUNNING AT cu03
= EXIT CODE: 11
= CLEANING UP REMAINING PROCESSES
= YOU CAN IGNORE THE BELOW CLEANUP MESSAGES
I also ran an example under example/md, it works fine, so maybe there is some problem with my pesudo or orbital files?

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I packed all of my input files up, you may reproduce with them.
CH4.zip

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BugsBugs that only solvable with sufficient knowledge of DFT

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