Those output numbers are not intended for the users. They are mainly used by developers iff bugs occur. So an end user can easily neglect the output you refer to.
However, the line: InitMesh: MESH = 216 x 216 x 80 = 3732480 tells you the real space grid used internally (1st, 2nd, 3rd lattice vector). These may be useful for end users when post-processing grid related quantities. 2017-02-22 22:15 GMT+01:00 Yangchuan Li <liyangch...@utexas.edu>: > Dear Siesta users, > > I'm trying to understanding how siesta running in parallel. I don't > understand the meaning of the grid distribution part of the output file. > For example like the following > > New grid distribution: 1 > 1 1: 108 1: 27 1: 8 > 2 1: 108 1: 27 9: 16 > 3 1: 108 1: 27 17: 24 > 4 1: 108 1: 27 25: 32 > 5 1: 108 1: 27 33: 40 > .... > 17 1: 108 82: 108 9: 16 > 18 1: 108 82: 108 17: 24 > 19 1: 108 82: 108 25: 32 > 20 1: 108 82: 108 33: 40 > > InitMesh: MESH = 216 x 216 x 80 = 3732480 > InitMesh: (bp) = 108 x 108 x 40 = 466560 > InitMesh: Mesh cutoff (required, used) = 200.000 206.314 Ry > ExtMesh (bp) on 0 = 172 x 91 x 76 = 1189552 > > What's the meaning of each column in formatted matrix? It seems the first > column is the core number. > And also what's the meaning of (bp) in the following output? > Siesta has a excellent input manual. Is there a output manual for siesta? > > Yangchuan Li > -- Kind regards Nick
