[ase-users] scipy sparse arrays in transport
Caleb Carlin
calebcarlin at gmail.com
Mon Apr 3 15:08:11 CEST 2017
Dear ase users,
I'm running into memory issues when using the transport code due very large
system sizes (N = ~15000 basis functions). For this large of a
calculation, finding a computer with enough memory is doable but
difficult. However, the block diagonal nature of the Hamiltonian/overlap
matrices makes sparse matrices an appealing solution.
Does anyone have a version that supports the use of sparse arrays for the
electron transport code?
Thank you
Caleb
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