Re: [Wien] error using SUM in case.int

thank you for you replt, i used cgrace, it worked On Sat, Dec 16, 2017 at 7:27 PM, Gavin Abo wrote: > After running "x tetra", did you run "dosplot2_lapw -i" (see section > 5.10.5 dosplot2_lapw [1]) or "Cgrace_dos_lapw" (see section 5.10.6 > Cgrace_lapw, Cgrace_conf_lapw

Re: [Wien] error using SUM in case.int

After running "x tetra", did you run "dosplot2_lapw -i" (see section 5.10.5 dosplot2_lapw [1]) or "Cgrace_dos_lapw" (see section 5.10.6 Cgrace_lapw, Cgrace_conf_lapw and Cgrace_dos_lapw [1]) in a terminal while in the case directory? On the other hand, there is no mention of SUM-DOS option

[Wien] error using SUM in case.int

Greetings Wien2k users, I would like to sum the total DOS of all atoms present in the cell of a certain element, or just to sum say eg and teg orbitals. I modified the case.int so as to put : e.g. SUM: 1 2 1 2 run tetra but the plot does not show up for some reason. How it is done ? --