Describe the bug
When I attempted to perform SCF calculation on ABACUS LTS-3.10.1 with the parameter out_dm=1 enabled, the calculation terminated and displayed an error message indicating that out_dm based on the k-point algorithm had not yet been implemented. The complete calculation files are attached; no output files were generated after the calculation terminated. However, the calculation can proceed normally when only the gamma point is considered.💔
Expected behavior
According to the manual, ABACUS LTS-3.10 should support outputting the density matrix for each k point when out_dm=1.
To Reproduce
test.zip
Environment
No response
Additional Context
No response
Task list for Issue attackers (only for developers)
Describe the bug
When I attempted to perform SCF calculation on ABACUS LTS-3.10.1 with the parameter out_dm=1 enabled, the calculation terminated and displayed an error message indicating that out_dm based on the k-point algorithm had not yet been implemented. The complete calculation files are attached; no output files were generated after the calculation terminated. However, the calculation can proceed normally when only the gamma point is considered.💔
Expected behavior
According to the manual, ABACUS LTS-3.10 should support outputting the density matrix for each k point when out_dm=1.
To Reproduce
test.zip
Environment
No response
Additional Context
No response
Task list for Issue attackers (only for developers)