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1 bohr =5.29177210818 x 10^(-11) m = 1 au = 0.52917°£; 1 hartree = 2625.5 kj/mol =27.2114 ev;
1 hartree = 4.3597441775 x 10^(-18) j = 1 ha
1 ha/au^3 = [4.3597441775 x 10^(-18) j ] / [5.29177210818^3 x 10^(-11) m^3]
                  = 2.94210120348 x 10^(13) j/m^3
                  = 2.94210120348 x 10^(13) n/m^2
                  = 2.94210120348 x 10^4 gpa

[ last edited by tonglijia on 2015-10-16 at 17:27 ]

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