[Wannier] Query on kmesh

Ajit Vallabhaneni avallabh at purdue.edu
Wed May 2 04:58:56 CEST 2012


Prof Jonathan,

              Thanks for your quick reply. I used the lattice parameters obtained after equilibration( as i mentioned earlier it worked for a coarse grid). I am attaching the output file with this for (iprint=4). 

              I am confused about your concern on k-points. Are you referring to the units of k-points or just the decimal places? 

I would appreciate if you can help me fix this. 

Thanks
Ajit
-------------- next part --------------
A non-text attachment was scrubbed...
Name: Ghex.wout
Type: application/octet-stream
Size: 60075 bytes
Desc: not available
URL: <http://lists.quantum-espresso.org/pipermail/wannier/attachments/20120501/514efb08/attachment.obj>


More information about the Wannier mailing list