[Wien] Convergence Problem
ritabrata bhowmick
rito at rcais.res.in
Mon Jan 19 12:43:06 CET 2009
Dear Wien users,
I am performing phonon calculations of B13C2 with 2x2x2 supercell. After init_phonon_lapw with RMT 1.25 (maximum possible), RMTkmax 5.50 , k points 1 and mixing factor 0.05(BROYD scheme). It converged with -fc 1.0 but I am facing convergence problem with -fc 0.1. Default mixing factor is 0.4. I tested the same with mixing factor 0.1 with BROYD and PRATT scheme separately but the result was same. I am waiting for your suggestions.
Ritabrata
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