Re: [Wien] fails in the banstructure plot

2019-10-23 Thread Peter Blaha
Probably nobody can help without reproducing the problem. Can you send me insp, struct and output1 file (if necessary also qtl and/or irrep) to my private email. On 10/23/19 3:14 PM, Elena Derunova wrote: Dear WIEN2k users, in WIEN2k update 19.1 (installed in opensuse Leap 15.1) there is

[Wien] fails in the banstructure plot

2019-10-23 Thread Elena Derunova
Dear WIEN2k users, in WIEN2k update 19.1 (installed in opensuse Leap 15.1) there is still a problem in bandstructure plotting around K/H points in the Brillouin zone: it fills bandstructure with lots of additional ticks in the .agr output file and gives a black square in the .ps output

Re: [Wien] Enable to plot more than first points in Analysis

2019-10-23 Thread Laurence Marks
Do a grep from a terminal and look at it -- probably the range is too large for w2web. On Wed, Oct 23, 2019 at 7:11 AM Luc Fruchter wrote: > Hi, > > Trying to plot the energy in w2web from a case.scf file, the plot only > shows the first 4 iterations values, although all ~ 30 energy values of >