[gpaw-users] Start gpaw transport calculation from pckl files

Georg Kastlunger georg.kastlunger at univie.ac.at
Tue Jul 1 22:18:38 CEST 2014


Dear Mailing list,

I am currently getting used to use the transport routine implemented in 
gpaw and since the systems I would like to calculate are quite big I 
wanted to ask if the transport calculator can also read pckl files 
containing the hamiltonians, like the ase transport calculator did. 
Doing so I could save a lot of time and memory since the leads in the 
different systems I'm studying are always the same.
If not I would just restart from the gpw files I have from the leads and 
the scattering region. This should work right?

All Best,
Georg


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