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<span style="font-family:Arial;">Dear Prof. Blaha,</span>
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<span style="font-family:Arial;"> Thank you for your reply. </span>
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<span style="font-family:Arial;"> I have checked the eigenvalue and made sure that it is not degenerate. Actually, the second eigenvalue is -5.633 and differs from the first value -5.833 by about 0.2 Ry.</span>
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<span style="font-family:Arial;"> I undersatand the phase freedom of eigenvactor, but it seems like that the difference not only came from diagonalization. After trace back the output of the program, i find that the Hamiltonian matrix elements are not the same. In the 2-kpt case, the Hamiltonian(HS) given by hamilt in lapw1 is</span>
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<span style="font-family:Arial;"> </span><span style="font-family:Arial;">...</span>
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<span style="font-family:Arial;"> -0.296635514229139 -0.296635514229139 -7.955504967907867E-003<br>
...,</span>
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<span style="font-family:Arial;">while in the 101-kpt case, it is</span>
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<span style="font-family:Arial;">...</span>
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<span style="font-family:Arial;"> -0.296635514229139 -0.296635514229139 -7.955504967907853E-003<br>
....</span>
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<span style="font-family:Arial;">Is this a numerical error? Or did i do something wrong?</span>
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<span style="font-family:Arial;"> In fact , I want to get finally the momment matrix case.mommat by the OPTIC module. And i find that the two mommat files are different to each other at the same k vector from two klists. That is why i check the eigenvectors. If there is only the phase freedom in the eigenvector, does it affect the momment matrix?</span>
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<span style="font-family:Arial;"> Once again, thank you for your response and support. I look forward to hearing back from you soon.</span>
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<span style="font-family:Arial;"> Best regards, Yingying Cao</span>
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