ABINIT Discussion Forums

Dear forum members, I want to find the minimal enthalpy under application of (not necessarily hydrostatic) stress. In the description of the input variable "strtarget" I find: "The optimization ... will target the stress tensor defined by by strtarget,... ...Presently, this required t...

Dear All, I want to perform a multi data set computation (calculation of dielectric constant), but the parallel version of abinit/6.0.3 fails. The input file works well in a serial computation. The failure is a disruption of the computation when the wavefunction has to be re read from file for the s...