Please I need clarification on how to compute celldm(4), celldm(5) and
celldm(6) for ibrav 12, 13 and 14
I have conflicting opinion on how it should be calculated though it is stated
as for ibrav =12 and 13 celldm(4)=cos(ab),for ibrav 14 celldm(4)=cos(bc),
celldm(5)=cos(ac)and celldm(6)=(ab). Although cos(ab) is the cosine of angle
between lattice parameters a and b as stated in INPUT_PW.HTML of quantum
espresso
Please I need clarifications
Agbaoye Ridwan OlamideFederal University of Agriculture, AbeokutaM.Sc. (in view)
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