mirror of https://gitlab.com/QEF/q-e.git
42 lines
1.7 KiB
Plaintext
42 lines
1.7 KiB
Plaintext
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Program TDDFPT_PP v.4.2 starts on 12Sep2010 at 23:18:13
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This program is part of the open-source Quantum ESPRESSO suite
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for quantum simulation of materials; please cite
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"P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009);
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URL http://www.quantum-espresso.org",
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in publications or presentations arising from this work. More details at
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http://www.quantum-espresso.org/wiki/index.php/Citing_Quantum-ESPRESSO
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Parallel version (MPI), running on 1 processors
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Reading 500 Lanczos steps for direction 1
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500 steps will be considered
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Reading 500 Lanczos steps for direction 2
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500 steps will be considered
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Reading 500 Lanczos steps for direction 3
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500 steps will be considered
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Data ready, starting to calculate observables
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Broadening = 0.00100000 Ry
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Output file name: ch4-pr.plot
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alpha:absorption coefficient
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CHI:susceptibility tensor
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Functions are reported as a function of hbar.omega (Ry)
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Static Polarizability Tensor:
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chi_1_1= 0.238993229105366E+01 + i0.000000000000000E+00
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chi_2_1= 0.246212302127900E-05 + i0.000000000000000E+00
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chi_3_1= -.126345391136001E-05 + i0.000000000000000E+00
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chi_1_2= 0.246212302103447E-05 + i0.000000000000000E+00
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chi_2_2= 0.238993226836416E+01 + i0.000000000000000E+00
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chi_3_2= -.609468691431850E-06 + i0.000000000000000E+00
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chi_1_3= -.126345391116435E-05 + i0.000000000000000E+00
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chi_2_3= -.609468691343730E-06 + i0.000000000000000E+00
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chi_3_3= 0.238993293314604E+01 + i0.000000000000000E+00
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Possible peak at 0.65460000 Ry; Intensity= 0.53E+02
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Possible peak at 0.70390000 Ry; Intensity= 0.25E+02
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