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OverlapNew Operator code and Unit Tests would be the first usable module based on HContainer module.
[ Unit Test for using OverlapNew to calculate Hamiltonian in real space. ]
[ Unit Test for using OverlapNew to contribute Hamiltonian in reciprocal space. ]
[ Unit Tests coverred SOC calculation. ]
[ Unit Tests coverred gamma_only calculation. ]
[ Unit Tests coverred multi-k without SOC calculation. ]
[ Unit Tests can do OpenMP parallel and the performance is well. ]
[ Unit Tests can do MPI parallel and the performance is well. ]
I will submit some PR for this purpose.
No response
The text was updated successfully, but these errors were encountered:
#2786 and #2777 has covered the demand lists.
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dyzheng
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Background
OverlapNew Operator code and Unit Tests would be the first usable module based on HContainer module.
[ Unit Test for using OverlapNew to calculate Hamiltonian in real space. ]
[ Unit Test for using OverlapNew to contribute Hamiltonian in reciprocal space. ]
[ Unit Tests coverred SOC calculation. ]
[ Unit Tests coverred gamma_only calculation. ]
[ Unit Tests coverred multi-k without SOC calculation. ]
[ Unit Tests can do OpenMP parallel and the performance is well. ]
[ Unit Tests can do MPI parallel and the performance is well. ]
Describe the solution you'd like
I will submit some PR for this purpose.
Additional Context
No response
The text was updated successfully, but these errors were encountered: