Sayan Chaudhuri Research Scholar IIT Indore On Tue, Aug 15, 2017 at 2:19 PM, sayan chaudhuri <[email protected]> wrote:
> Dear QE experts, > > I am trying to calculate the mixing energy of my alloy system Fe2TiSn, > a full heusler alloy. I have the following few questions regarding the same. > 1. Is there any easier way(a module maybe) then calculate the energies of > individual constituents and subtracting from the system energies? > 2. When i am doing a relax calculation for Sn atom it is giving the > following error, > > *Not enough space allocated for radial FFT: try restarting with a larger > cell_factor* > > What can be the reason for this? > I am attaching my input and the output file. Please suggest me some > solution to the problem. > >
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