Re: [SIESTA-L] siesta-4.1-b2 MPI spin-orbit crashes with Error in Cholesky factorisation in cdiag

Hi, Have you tried the default settings for these two below ? Diag.DivideAndConquer .true. Diag.NoExpert .false. Regards, Roberto On 02/20/2017 02:34 PM, Aurelio Gallardo Caparrós wrote: Hi! I'm using siesta-4.1-b2 MPI compiled in a cluster. spin-orbit calculations with more than one core

Re: [SIESTA-L] siesta-4.1-b2 MPI spin-orbit crashes with Error in Cholesky factorisation in cdiag

Please see (a new answer here to your LP question): https://answers.launchpad.net/siesta/+question/465719 2017-02-20 18:34 GMT+01:00 Aurelio Gallardo Caparrós : > Hi! > > I'm using siesta-4.1-b2 MPI compiled in a cluster. > spin-orbit calculations with more than one core

Re: [SIESTA-L] VIBRA package

Could you please update to siesta 4.0? If the error persists, please let us know. 2017-02-19 5:07 GMT+01:00 Sunetra Das : > Hello SIESTA users, > > I am new to SIESTA and trying to calculate the phonon dispersion curves > for a given optimized structure using the VIBRA