The output file containing dos and pdos bepuzzles me, according to my knowledge, dos contains all states including shell and valence states but pdos contains only the valence states, but in Pwscf dos equals pdos in the pdos output file.And the dos caculation's column writes like this E (eV) dosup(E) dosdw(E) Int dos(E) 5.749 0.0000E+00 0.0000E+00 0.0000E+00 5.849 0.9326E-03 0.4531E-03 0.1386E-03 What's the meaning of Int dos?And what's the unit of dos, or it's just in a.u.
- [Pw_forum] question about pdos and dos XiaoSong Du
- [Pw_forum] fftw3 Antonio Suriano
- [Pw_forum] fftw3 Paolo Giannozzi
- [Pw_forum] fftw3 Alexander Shaposhnikov
