ABINIT Discussion Forums

Dear All, I tried to calculate the Raman spectra of alpha-Al2O3 following the tutorials, you can find my input file in the attachment. al2o3-nlo-alfa.in The phonon frequencies consist with the available results very well, but the Raman susceptibilities do not obey the symmety. The Raman active Mode ...

Dear abiniters, I just began to do some md calculations and found that the abinit can't generate the _HIST files even with the input file of tmoldyn_0*.in. The *.out files are good thus I guess it maybe result from the my compiliation which I disable some connectors. Please tell me which is the nece...