csld

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Hi,Dr Zhou I am trying to use CSLD to extract force constants for ShengBTE to calculate thermal conductivity of CuInTe2. I find a strange problem. **CSLD can give a picture...

davy12344

Can CSLD get correct phonon dispersion of crystal with R3m phase

2

Hi, Dr Zhou. I read a series of your work about CSLD. I have tried to complete simulation on Si, NaCl and some crystals with tetragonal structure, and I got...

davy12344

1. the Born effective charge extracted by polaron_main is saved into a file named 'born.txt'. see line 800 of polaron_main: np.savetxt('born.txt', prim.symmetrize_born(borns).reshape((-1,3)) csld_main will read a file named 'born_charge.txt' 2....

houzf

polaron_main seems to extract only the "MACROSCOPIC STATIC DIELECTRIC TENSOR IONIC CONTRIBUTION", instead of the "MACROSCOPIC STATIC DIELECTRIC TENSOR (including local field effects in DFT)". This is different from the...

houzf

# Example-Si Problem

1

I just finished installing csld on my server today, but it doesn't seem to be running correctly when I follow the commands in the manual. Should I be making any...

MapleXW