Re: [QE-users] A DFPT equation

2021-02-20 Thread Andrew Xu
Thank you! ___ Quantum ESPRESSO is supported by MaX (www.max-centre.eu) users mailing list users@lists.quantum-espresso.org https://lists.quantum-espresso.org/mailman/listinfo/users

Re: [QE-users] A DFPT equation

2021-02-19 Thread Paolo Giannozzi
Insert Eq.61 into Eq.59. You will get Eq.62, plus a higher-order term. Paolo On Fri, Feb 19, 2021 at 12:52 AM Andrew Xu wrote: > Hi users, > > I had a question about one of the DFPT equations in Baroni et al. "Phonons > and related crystal properties from DFPT." I was unsure about posting this

[QE-users] A DFPT equation

2021-02-18 Thread Andrew Xu
Hi users, I had a question about one of the DFPT equations in Baroni et al. "Phonons and related crystal properties from DFPT." I was unsure about posting this question here because most of the questions here are about using QE, but I choose to do so since DFPT is implemented in QE, the authors ar