R2SCAN crash when `mixing_tau true`

[QuantumMisaka]

Describe the bug

When running R2SCAN calculation with mixing_tau true, the stdout

                              ABACUS v3.9.0.1

               Atomic-orbital Based Ab-initio Computation at UStc                    

                     Website: http://abacus.ustc.edu.cn/                             
               Documentation: https://abacus.deepmodeling.com/                       
                  Repository: https://github.com/abacusmodeling/abacus-develop       
                              https://github.com/deepmodeling/abacus-develop         
                      Commit: 1fa5e3a8c (Sun Mar 2 19:56:26 2025 +0800)

 Wed Mar  5 05:48:07 2025
 MAKE THE DIR         : OUT.ABACUS/
 RUNNING WITH DEVICE  : CPU / AMD EPYC 7B12 64-Core Processor
 dft_functional readin is: MGGA_X_R2SCAN+MGGA_C_R2SCAN
 dft_functional in pseudopot file is: PBE
 Please make sure this is what you need
 dft_functional readin is: MGGA_X_R2SCAN+MGGA_C_R2SCAN
 dft_functional in pseudopot file is: PBE
 Please make sure this is what you need

%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
 Warning: the number of valence electrons in pseudopotential > 8 for Fe: [Ar] 3d6 4s2
 Pseudopotentials with additional electrons can yield (more) accurate outcomes, but may be less efficient.
 If you're confident that your chosen pseudopotential is appropriate, you can safely ignore this warning.
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%

 UNIFORM GRID DIM        : 180 * 360 * 216
 UNIFORM GRID DIM(BIG)   : 36 * 72 * 54
func,idMGGA_X_R2SCAN 497
func,idMGGA_C_R2SCAN 498
 DONE(0.177585   SEC) : SETUP UNITCELL
 DONE(0.178846   SEC) : INIT K-POINTS
 ---------------------------------------------------------
 Ion relaxation calculations
 ---------------------------------------------------------
 SPIN    KPOINTS         PROCESSORS  THREADS     NBASE       
 2       8               64          64          2628        
 ---------------------------------------------------------
 Use Systematically Improvable Atomic bases
 ---------------------------------------------------------
 ELEMENT ORBITALS        NBASE       NATOM       XC          
 C       2s2p1d-7au      13          36          
 Fe      4s2p2d1f-8au    27          80          
 ---------------------------------------------------------
 Initial plane wave basis and FFT box
 ---------------------------------------------------------
 DONE(0.328627   SEC) : INIT PLANEWAVE
 DONE(2.26513    SEC) : LOCAL POTENTIAL
 -------------------------------------------
 STEP OF ION RELAXATION : 1
 -------------------------------------------
 START CHARGE      : atomic
 DONE(6.50985    SEC) : INIT SCF

===================================================================================
=   BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES
=   RANK 0 PID 551391 RUNNING AT amd-cpu
=   KILLED BY SIGNAL: 8 (Floating point exception)
===================================================================================

And stderr

[cn239:157499:0:157499] Caught signal 8 (Floating point exception: integer divide by zero)
==== backtrace (tid: 157502) ====
==== backtrace (tid: 157511) ====
 0 0x000000000004d455 ucs_debug_print_backtrace()  ???:0
 1 0x000000000051e483 Base_Mixing::Mixing_Data::push<double>()  /mnt/sg001/home/fz_pku_jh/software/abacus/abacus-3.9.0-250302/source/module_base/module_mixing/mixing_data.h:50
 2 0x000000000051e483 Base_Mixing::Broyden_Mixing::tem_push_data<double>()  /mnt/sg001/home/fz_pku_jh/software/abacus/abacus-3.9.0-250302/source/module_base/module_mixing/broyden_mixing.cpp:50
 3 0x00000000007eaafd Base_Mixing::Broyden_Mixing::push_data()  /mnt/sg001/home/fz_pku_jh/software/abacus/abacus-3.9.0-250302/source/module_base/module_mixing/broyden_mixing.h:75
 4 0x00000000007eaafd Base_Mixing::Broyden_Mixing::push_data()  /mnt/sg001/home/fz_pku_jh/software/abacus/abacus-3.9.0-250302/source/module_base/module_mixing/broyden_mixing.h:75
 5 0x00000000005186fa Base_Mixing::Mixing::push_data()  /mnt/sg001/home/fz_pku_jh/software/abacus/abacus-3.9.0-250302/source/module_base/module_mixing/mixing.cpp:14
 6 0x00000000005186fa Base_Mixing::Mixing::push_data()  /mnt/sg001/home/fz_pku_jh/software/abacus/abacus-3.9.0-250302/source/module_base/module_mixing/mixing.cpp:14
 7 0x00000000007f5e6d Charge_Mixing::mix_rho_real()  /mnt/sg001/home/fz_pku_jh/software/abacus/abacus-3.9.0-250302/source/module_elecstate/module_charge/charge_mixing_rho.cpp:494
 8 0x00000000007f5e6d Charge_Mixing::mix_rho_real()  /mnt/sg001/home/fz_pku_jh/software/abacus/abacus-3.9.0-250302/source/module_elecstate/module_charge/charge_mixing_rho.cpp:494
 9 0x00000000007f6749 Charge_Mixing::mix_rho()  /mnt/sg001/home/fz_pku_jh/software/abacus/abacus-3.9.0-250302/source/module_elecstate/module_charge/charge_mixing_rho.cpp:563
10 0x00000000008d3048 ModuleESolver::ESolver_KS<std::complex<double>, base_device::DEVICE_CPU>::iter_finish()  /mnt/sg001/home/fz_pku_jh/software/abacus/abacus-3.9.0-250302/source/module_esolver/esolver_ks.cpp:625
11 0x000000000094646b ModuleESolver::ESolver_KS_LCAO<std::complex<double>, double>::iter_finish()  /mnt/sg001/home/fz_pku_jh/software/abacus/abacus-3.9.0-250302/source/module_esolver/esolver_ks_lcao.cpp:853
12 0x00000000008d295d ModuleESolver::ESolver_KS<std::complex<double>, base_device::DEVICE_CPU>::runner()  /mnt/sg001/home/fz_pku_jh/software/abacus/abacus-3.9.0-250302/source/module_esolver/esolver_ks.cpp:452
13 0x0000000000743bea Relax_Driver::relax_driver()  /mnt/sg001/home/fz_pku_jh/software/abacus/abacus-3.9.0-250302/source/module_relax/relax_driver.cpp:53
14 0x000000000075f5b7 Driver::driver_run()  /mnt/sg001/home/fz_pku_jh/software/abacus/abacus-3.9.0-250302/source/driver_run.cpp:72
15 0x000000000075e5c8 Driver::atomic_world()  /mnt/sg001/home/fz_pku_jh/software/abacus/abacus-3.9.0-250302/source/driver.cpp:180
16 0x000000000075ded1 Driver::init()  /mnt/sg001/home/fz_pku_jh/software/abacus/abacus-3.9.0-250302/source/driver.cpp:37
17 0x0000000000452509 main()  ???:0
18 0x0000000000022555 __libc_start_main()  ???:0
19 0x00000000004523b6 _start()  ???:0
=================================

If turn off the mixing_tau option, the calculation will be perfermed normally

Expected behavior

Running properly

To Reproduce

r2scan-mixtau-segfault.tar.gz

and PP_ORB can be arbitary, such as v2.0-std

Environment

No response

Additional Context

No response

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