[Pw_forum] charge density difference plots between two strained structures

Paolo Giannozzi paolo.giannozzi at uniud.it
Mon Dec 8 09:43:56 CET 2014

If the strain is small and if FFT dimensions are the same, you may try
to force the code to ignore the different structures of the two cases
and just plot the difference between the unstrained charge and the
strained one on the same grid. Not sure what you will obtain, through!


On Sat, 2014-12-06 at 18:08 +0530, Rajdeep Banerjee wrote:
> Dear all,
>              how to generate charge density difference plots (3D) for
> a system between two strain values(alat is different, because alat =
> (1+e)*a0 where e and a0 are strain and equilibrium lattice constants
> respectively), because the generated 3D grids will different for the
> above cases.
> Thanks and regards,
> Rajdeep Banerjee
> PhD student
> JNCASR, Bangalore,
> India
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