ABINIT Discussion Forums

Hello!
I am generally interested in available options to manually adjust the electronic densities obtained by a well-converged SCF calculation. These manipulated densities shall than serve as input for further electron-phonon calculations (non-SCF). I am using v6.4, a GGA psp by FHI and a calculation scheme adopted from the corresponding RF- and el-phon tutorials. My first intent is to reduce all the converged densities homogeniously by a constant factor, say 0.999.
Despite the usefulness of this action, what is the simplest way to achieve this? If inevitable, which files/lines of the source code do if have to tackle?
Many thanks in advance
Martin

Hi Martin,

you might play with cut3d, which reads in densities already, and then output it again (after your multiplication), using the ioarr subroutine for example, in binary format.

good luck then

Matthieu