[gpaw-users] The format of GPAW cubic files

Jibiao Li jibiaoli at gmail.com
Fri Oct 22 15:18:17 CEST 2010


Hi, all
I'd like to ask you a question about the format of GPAW cubic files. As we
know volume data sets such as electron density, molecular orbitals are
characterized by multidimensional arrays of scalar data  that are defined on
lattice structures (3D space). My question is how does GPAW restored those
data into the displayed rows in one-dimensional?   What's the squence of
picking up the values in 3D? Thank you!
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