cos(ab) means cosine of the angle between lattice AXIS a and lattice AXIS b, so xcrysden gives you the correct view
see also Doc/INPUT_PW.txt at the description of the variable A, B, C, cosAB, cosAC, cosBC Giovanni > On 21 Dec 2015, at 12:16, Ridwan Agbaoye <[email protected]> wrote: > > Good day everyone > I need some help with clarification on celldm(4)=cos(ab) > > Does cos(ab) mean the cosine of angle between lattice parameter a and b > or it means the cosine of the product of the lattice parameter a and b that > is cosine(lattice parameter a*lattice parameter b) > > when i view my input file using xcrysden it looks like a cubic structure when > i used celldm(4)=cos(ab)=0 since angle between a and b is 90 degree > > but looked like a monoclinic structure when i used cosine(lattice parameter > a*lattice parameter b) > > Am i getting the cos(ab) wrong > > Many Thanks to everyone on this forum > > _______________________________________________ > Pw_forum mailing list > [email protected] > http://pwscf.org/mailman/listinfo/pw_forum
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