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- Fri Jul 11, 2014 6:05 am
- Forum: Ground state
- Topic: Huge memory footprint with nonlocal pseudopotentials
- Replies: 0
- Views: 1365
Huge memory footprint with nonlocal pseudopotentials
I am trying to run an aluminum nanocluster containing 666 atoms(5x5x5 fcc cells). I am enclosing the nanocluster in a box of size 40 a.u where the cluster size itself is 37.25 a.u. I am trying to find the ground state energy using a non-local norm-conserving TM pseudopotential. I am facing serious m...