mirror of https://github.com/abinit/abinit.git
25 lines
522 B
Plaintext
25 lines
522 B
Plaintext
NLO Tutorial
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PART1-DFPT
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Five different steps:
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1. alas_nonlin_ng6.in
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- linear and non-linear responses to E field and atomic displacements
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- generates 2 DDBs
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2. alas_strain_ng6.in
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- strain perturbation
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- generates 1 DDB
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3. mrgddb.in
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- merge the 3 previous DDB into alas_DDB
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4. anaddb.in
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- analyse the previous DDB to get various responses
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5. alas_fdiff.in
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- compute d chi / d tau by finite differences
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- deduce the Raman coefficient a and the Faust-Henry coefficient
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- include some tools to compute the coefficients
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