[Wien] MSR1a -- feedback please (refs particularly)

Peter Blaha pblaha at theochem.tuwien.ac.at
Fri Apr 20 08:08:20 CEST 2012


I'm not sure where we used MSR1a and where mini. Usually we try both.
Anyway, recent papers with structure optimizations are:

(Sorry, I don't have  "endnote".)

H. Koch, R. Laskowski, P. Blaha, K. Schwarz:
"Adsorption of gold atoms on the h-BN/Rh(111) nanomesh";
Physical Review B, 84 (2011), 245410.

C. Spiel, P. Blaha, Y. Suchorski, K. Schwarz, G. Rupprechter:
"CeO2/Pt(111) interface studied using first-principles density functional theory calculations";
Physical Review B, 84 (2011), 4; 045412.

H. Hsu, P. Blaha, R. Wentzcovitch:
"Ferromagnetic insulating state in tensile-strained LaCoO3 thin films from LDA+U calculations";
Physical Review B, 85 (2012), 140404.

Others are not yet in a "writing state".

Am 19.04.2012 16:59, schrieb Laurence Marks:
> For a proposal (to help me continue to do some development on the
> side, in addition to experiments) I would appreciate information about
> MSR1a usage, particularly references to any papers where it has been
> used (in press, submitted or in preparation). A prompt response would
> be appreciated (and Endnote format would be wonderful).
>

-- 

                                       P.Blaha
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