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Henning Janssen
fleur
Commits
3b6d67b5
Commit
3b6d67b5
authored
Apr 01, 2022
by
Alexander Neukirchen
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Update dfpt_TODO.txt
parent
88960a9a
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juphon/dfpt_TODO.txt
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@@ -32,14 +32,18 @@ q-loop:
eigen1:
tlmplm:
- get the matrix elements of both H and V1 [done]
- correct the matrix elements of H:
We do not need a symmetrized form (0.5, 0.5) [done]
hssetup:
- get H1 and S1 matrices from the interstitial v1%pw_w [done]
- get H1 and S1 matrices from the MT td and tdV1 and enp
p
ara [
WIP
]
- use hsmt_nonsph for the matrix elements of V1
- get H1 and S1 matrices from the MT td and tdV1 and enpara [
sone
]
- use hsmt_nonsph for the matrix elements of V1
[done]
- nonsph gives a full matrix as we need, but we need to teach
it to accept different matching coefficients for different
k left and right [easy]
- nonsph spits out *exactly* the complex conjugate of a*Ha[!]
k left and right [done]
- use hsmt_nonsph for H-elements with perturbed matchings [done]
- teach hsmt_ab how to work with i(k+G) prefactors [done]
- use hsmt_sph for H/S-elements with perturbed matchings [done]
Analytical Matrix inversion:
- write routine that inverts (Hkq-\epsilonk*Skq) in a spectral representation [done]
z1-calculation:
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