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| | Abinis help file (response function part) (Site not responding. Last check: 2007-09-02) |
 | | The wavevector to be considered in one dataset of ABINIT is determined by the input variables nqpt, qpt, and qptnrm. |
 | | The perturbation is the change of wavevector by dk in the Hamiltonian, hence the perturbation is refered to as the derivative dk perturbation ("ddk" perturbation). |
 | | To summarize, the perturbations are characterized by two numbers, "ipert" from 1 to natom+4, and "idir", from 1 to 3, as well as one wavevector (that is gamma when a non-phonon perturbation is considered); a number called "pertcase" combines "ipert" and "idir", and runs from 1 to 3*(natom+4). |
| www.abinit.org /Infos_v5.1/users/respfn_help.html (4376 words) |
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