[Wien] (no subject)

2017-02-09 Thread GOUTAM KUMAR GUPTA
Dear all I am trying to run quaternary chalcogenide structure with no spin (non-magnetic). After running some cycle of scf, i am getting warning in lapw0 and finally system gets converged > stop ec cc and fc_conv 1 1 1 :CHARGE convergence: 0 0. .000423 :ENERGY convergence: 1 0.0001

[Wien] JPlot : interactive plots for WIEN2K

2017-02-09 Thread Adlane Sayede
Dear Wien2k Community, I would like to announce a new tool for plotting interactive charts for WIEN2K code. It produces the same kind of plots (Density of States, Bandstructure, Optical properties and Electron density plots) as the native WIEN2K interface but with no 3th program (i.e.