Dear all, I want to calculate the neutron static structure factor based on the results of vibrational frequencies and eigenmodes obtained by the line-response method. The paper (Phys. Rev. B 2000, 61:3951-3959, Vibrational amplitudes in vitreous silica) and Paolo Umari's thesis gave the calculated formula. I tried to code it, but the results are wrong. I was wondering if there is a code in QE to calculate it. Can anyone who successfully calculated the neutron static structure factor give me some help? ? Thanks again, ? Best, ? Li Niu Ph.D. Candidate, Center for Composite Materials, Harbin Institute of Technology, Harbin, Heilongjiang, 150080, People's Republic of China ?
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