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Segmentation Fault something wrong in function:hamilt::DeltaSpin<hamilt::OperatorLCAO<std::complex, std::complex > >::cal_pre_HR()
The program running file as follows slurm-nscf_out.txt slurm-scf_out.txt
No response
my input and STRU. The oribitals and pseudopotential files are from https://github.com/mailhexu/TB2J_examples/tree/master/Abacus/CrI3/DFT
STRU.txt
INPUT_scf.txt
INPUT_nscf.txt
If there is no DFT+U option, simply considering nonlinearity will not lead to this problem
INPUT_scf_nou.txt
The text was updated successfully, but these errors were encountered:
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Describe the bug
Segmentation Fault
something wrong in function:hamilt::DeltaSpin<hamilt::OperatorLCAO<std::complex, std::complex > >::cal_pre_HR()
The program running file as follows
slurm-nscf_out.txt
slurm-scf_out.txt
Expected behavior
No response
To Reproduce
my input and STRU. The oribitals and pseudopotential files are from https://github.com/mailhexu/TB2J_examples/tree/master/Abacus/CrI3/DFT
STRU.txt
INPUT_scf.txt
INPUT_nscf.txt
Environment
No response
Additional Context
If there is no DFT+U option, simply considering nonlinearity will not lead to this problem
INPUT_scf_nou.txt
Task list for Issue attackers (only for developers)
The text was updated successfully, but these errors were encountered: