[Pw_forum] Increasing the FFT grid spacing/ using wavefunction to provide initial charge density

Muhich Christopher cmuhich at ethz.ch
Thu Sep 29 12:48:35 CEST 2016

Hi everyone,

I want to run a calculation at a low fft grid spacing and then use the resulting wavefunction to start a second calculation at a higher fft spacing. Is there any way to do this?

I've tried reading in the old charge density but this obviously doesn't work because the fft grids don't match.

I've tried reading in the old wavefunction as the starting wavefucntion, but this just collapse because atomic charge density is used as a starting point.


Christopher Muhich, PhD
ETH Zurich
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