[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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