next up previous contents
Next: 6 The file Up: 5.21 PROOUT file Previous: 5.21 PROOUT file


tex2html_wrap_inline4489 line:
tex2html_wrap_inline4491 line:
number of kpoints, bands and ions
tex2html_wrap_inline4493 line:
twice the number of types followed by the number of ions for each type
tex2html_wrap_inline4495 line:
the Fermi weights for each kpoint (inner loop) and band (outer loop)
line 5 - ...:
real and imaginary part of the projection tex2html_wrap_inline4497 for every lm-quantum number (inner loop), band, ion per type, kpoint and ion-type (outer loop)
below :
augmentation part
and finally:
the corresponding augmentation part of the projections for every lm-quantum number (inner loop), ion per type, ion-type, band and kpoint (outer loop)

This information makes it possible to construct e.g. partial DOSs projected onto bonding and anti-bonding molecular orbitals or the so-called coop ( crystal overlap population function).

Mon Mar 29 10:38:29 MEST 1999