Black phosphorus primitive cell. HSE+DFT-D3(0) functional. I'm trying to run a scf cacluation with a gamma centered kmesh and several extra zero weight kpoints, just like what should be done in vasp.
However, abacus crushes even I only use one mpi process. If I change the functional to PBE, abacus seems work well.
Part of the output is showed as follows:
Describe the bug
Black phosphorus primitive cell. HSE+DFT-D3(0) functional. I'm trying to run a scf cacluation with a gamma centered kmesh and several extra zero weight kpoints, just like what should be done in vasp. However, abacus crushes even I only use one mpi process. If I change the functional to PBE, abacus seems work well. Part of the output is showed as follows:
The full input files are contained in the attachment. BP.zip
Expected behavior
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To Reproduce
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Environment
abacus 3.2.0
Additional Context
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