The last number is the length of the path so far. 110 is equivalent to 010. Hence the path does not advance
stefano (sent from my phone) > On 12 Jun 2016, at 11:29, Muthu V <muthu.physicsm...@gmail.com> wrote: > > Dear QE'ions > I used the Si example file provided in QE/PP/examples/example01/ (ie > run_example) and in si.bands.out i noticed the following > high-symmetry point: 0.5000 0.5000 0.5000 x coordinate 0.0000 > high-symmetry point: 0.0000 0.0000 0.0000 x coordinate 0.8660 > high-symmetry point: 0.0000 1.0000 0.0000 x coordinate 1.8660 > high-symmetry point: 1.0000 1.0000 0.0000 x coordinate 1.8660 > high-symmetry point: 0.0000 0.0000 0.0000 x coordinate 3.2802 > how the three index ( ex. 0.5 0.5 0.5 and so on) is converted into one point > ( 0.0000 0.86660 1.8660 1.8660 3.2802). > and the meaning of 1.0 1.0 0.0 K_POINT in run_example file ( used in band > calculation) > Thank you > ---------------------------- > Muthu V > Sri Paramakalyani College > Alwarkurichi > India > ---------------------------- > > _______________________________________________ > Pw_forum mailing list > Pw_forum@pwscf.org > http://pwscf.org/mailman/listinfo/pw_forum
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