On Thu, Oct 27, 2016 at 10:43 PM, Karim Elgammal <[email protected]> wrote:
> Dears; > "sorry if this topic, maybe repeated" > Maybe my question seems dump, but I was wanted to calculated the core - > level shift following the example "CLS_FS". I am using the ONCV > pseudopotentials for the scf calculation, then it happens that we get > interested in the core level shift, and according to the example readme, I > need a "core-excited" pseudopotential which should be consistent with my > already used ONCV PP here for example. > > Thus, I was wondering how to modify the ONCV PP to get a version which is > core-excited? > > I had a look for the ld1.x utility, but it seems that it is to generate a > pseudopotential from scratch, which is out of my expertise, didn't get > which option is needed for core-excited as well. > > > -- > Thank you and Best Regards; > Yours; > *Karim Elgammal* > *KTH* > -- Thank you and Best Regards; Yours; *Karim Elgammal*
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