mirror of https://gitlab.com/QEF/q-e.git
20 lines
1.1 KiB
Plaintext
20 lines
1.1 KiB
Plaintext
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To run the example do:
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./run_example
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Computes the optical properties of bulk silver at the independent particle level with the optimal basis method
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Output files produced by simple_ip.x:
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ag.dos_broadening.dat --> Density of states
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ag.jdos.dat --> Joint density of states
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ag.eps_inter_im.dat --> Imaginary part of the interband contribution to the dielectric function computed along x, y and z
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ag.eps_inter_re.dat --> Real part of the interband contribution to the dielectric function computed along x, y and z
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ag.eps_tot_im.dat --> Imaginary part of the full dielectric function (interband+intraband) computed along x, y and z
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ag.eps_tot_re.dat --> Real part of the full dielectric function (interband+intraband) computed along x, y and z
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ag.eels.dat --> Electron energy loss spectrum computed along x, y and z
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ag.optical_constants.dat --> Real and imaginary part of the full dielectric function, refractive index, extinction coefficient, reflectivity
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(averaged over the three directions x, y and z)
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