Hi,
I'm wondering if it is possible that for coarser k mesh (4x4x4) the polaron formation energy is negative but positive for denser k mesh (12x12x12)?
Best,
Xiaoming
Search found 3 matches
- Thu Jul 21, 2022 5:49 pm
- Forum: General discussion
- Topic: polaron calculation
- Replies: 0
- Views: 3488
- Tue Jun 18, 2019 6:16 pm
- Forum: General discussion
- Topic: phonon assisted absorption
- Replies: 1
- Views: 2218
Re: phonon assisted absorption
Hi,
Btw, anyone know what the '0.5' comes from in the s1a s2a s1e and s2e equations?
Best,
Xiaoming
Btw, anyone know what the '0.5' comes from in the s1a s2a s1e and s2e equations?
Best,
Xiaoming
- Sat Jun 15, 2019 2:35 pm
- Forum: General discussion
- Topic: phonon assisted absorption
- Replies: 1
- Views: 2218
phonon assisted absorption
Hello, For the phonon assisted absorption calculations, in the PRL paper (Phys. Rev Lett. 108, 167402 (2012)), the generalized optical matrix elements are: S1(k,q) = Sum_m v_im(k)*g_mj,nu(k,q) / (e_mk - e_ik - hbar*omega + i*eta) S2(k,q) = Sum_m g_im,nu(k,q)*v_mj(k+q) / (e_mk+q - e_ik +/- hbar*omega...