Davide, Thank you very much for your attention.
H. O. Frota Federal University of Amazonas - Brazil On Tue, Dec 16, 2014 at 7:07 AM, Davide Ceresoli < [email protected]> wrote: > > It's implemented in GIPAW (job='mossbauer'). Then you will need > EFGs (job='efg') and maybe hyperfine Fermi contact (job='hyperfine'). > > HTH. > > Best, > Davide > > > > On 12/15/2014 11:48 PM, Hidembergue Ordozgoith da Frota wrote: > >> Can anyone tell me if it is possible to calculate the Mössbauer isomer >> shift >> using Quantum Espresso? >> >> H. O. Frota >> Federal University of Amazonas - Brazil >> >
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