[Pw_forum] reusing converged density

Luke Shulenburger lshulenburger at ciw.edu
Sun Feb 28 03:33:48 CET 2010


Hello,

I would like to calculate the ground state of a system with several
different strains.  As the calculations are somewhat hard to converge, I was
hoping that I could re-use the density and wavefunctions from one of the
calculations as starting points of the others.  I know that the code does
this under the hood when the geometry is changed in MD or geometry
optimizations, but I cannot seem to get it to work for separate static scf
calculations.   Is this feature available?

Luke Shulenburger
Geophysical Laboratory
Carnegie Institution of Washington
(lshulenburger at ciw.edu)
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