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) gave the calculated formula. I tried to write a small code to calculate
it, but the results are wrong. Is there is a small tool in QE to calculate it?
Can anyone who successfully calculated the neutron static structure factor give
me some help?
?
Any help will be very appreciated.
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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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