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Huge memory cost when using LibRI and ABACUS for hybrid functional SCF #1

@Liu-RX

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@Liu-RX

I am using LibRI together with ABACUS to calculate a single methane in a 10x10x10 Angstrom^3 box. The XC functional I use is PBE0. I use 4 MPI process with 12 cores for the calculation. The atomic orbitals used are 2s2p1d for C and 2s1p for H. It turns out that the calculation takes up to 12 Gb memory. Is this normal? How should I predict the usage of memory when using hybrid functional with ABACUS and LibRI?

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