Re: [Wien] LDA x PBE for optimization

Since LDA does not require the derivatives of the electron density, maybe this leads to more stable and smoother SCF/optimization. On Mon, 25 Jan 2016, Luis Ogando wrote: Dear Wien2k community,    I am working with III-V semiconductors (bulks and some combinations/heterostructures of their

Re: [Wien] LDA x PBE for optimization

Dear Prof. Tran, Thank you very much ! All the best, Luis 2016-01-25 15:31 GMT-02:00 : > Since LDA does not require the derivatives of the electron density, > maybe this leads to more stable and smoother SCF/optimization. > > > On Mon, 25 Jan