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,
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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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http://card.mail.cn.yahoo.com/
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