Re: [Wien] structure relaxation query for phonopy calculations

dag 25 januari 2018 21:25 Aan: A Mailing list for WIEN2k users <wien@zeus.theochem.tuwien.ac.at> Onderwerp: Re: [Wien] [SPAM?] structure relaxation query for phonopy calculations   Thank you very much Sir,   My last query is: In the SrTiO3 exercise Peter Sir used rkmax 6 while for ban

Re: [Wien] structure relaxation query for phonopy calculations

[Wien] [SPAM?] structure relaxation query for phonopy calculations Thank you very much Sir, My last query is: In the SrTiO3 exercise Peter Sir used rkmax 6 while for band structure rkmax 6 for SrTiO3 is less (sorry, I missed that exercise otherwise I wanted to put it here). So, does the rkmax in