On Oct 11, 2010, at 6:46 , mohnish pandey wrote: > I there anyway to do this because when I am using the > charge density of coarser grid to the calculation for finer grid > I am getting the error "davcio error". I am also using the > wave-function of the coarser grid for fine grid calculation.
if I remember correctly, you should be able to read the charge density produced by a Gamma-only calculation into a k-point calculation, but only if you have the same FFT grids: use "startingpot='file'". You cannot re-use wavefunctions, though. Paolo --- Paolo Giannozzi, Dept of Chemistry&Physics, Univ. Udine via delle Scienze 208, 33100 Udine, Italy Phone +39-0432-558216, fax +39-0432-558222
