Re: [Wien] Seebeck coefficient_Boltztrap

2016-04-05 Thread Hannan.Sadek
Dear Gerhard; I subtracted the value of the Fermi energy that is corresponding to this case(the value of the Fermi energy in the case.scf file) from each values in the column of the chemical potential, and then I got the zero at one of them. As I understand it should be done in that way, doesn't

[Wien] xmgrace error

2016-04-05 Thread Lan, Wangwei
Dear WIEN2k User: I calculate the band structure in my case, and I can get the case.spaghetti_ps correctly. But when I want to use xmgrace to plot the band structure, it gives error show below. I am pretty sure WIEN2k works fine in my case. I searched the mailing list, but I can't find the an