[Pw_forum] Clarification of celldm(4) in monoclinic

Ridwan Agbaoye agbaoyeridwan at yahoo.com
Mon Dec 21 12:16:10 CET 2015


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 
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