[Pw_forum] GWW-band (P. Umari)

2009-09-09 Thread Geoffrey Stenuit
Dear Ali, Just a few additional words: The symmetric dielectric matrix is given in the output file generated by the binary head.x (based on the ph.x phonon code as Paolo said). In particular, it is also given by the second number on the line starting by "HEAD:" . In other words, if you do a

[Pw_forum] GWW-band (P. Umari)

2009-09-04 Thread um...@democritos.it
Dear Ali, First of all, note that the GWW is implemented only at the gamma point, so it requires large supercells, (or better it is appropriate for non-crystalline systems). However the long-range parts of the symmetric dielectric matrix and of the screened-interaction can be calculated using k-po