Re: [Pw_forum] Possible Bugs in bands.x

2016-01-24 Thread stefano de gironcoli
Dear Youssef Aharbil, you are right. there is a small bug in the treatment of spin_component=2 in band.x in routine punch_plottable_bands the variable dxmod_save was incorrectly computed if nks1tot is not 1 (that happens in the nspin_component=2 case) the correct test should read

[Pw_forum] Possible Bugs in bands.x

2016-01-23 Thread Youssef
Dear all, I am facing a problem when using bands.x with spin_component = 2 , in fact, the printed values of kx are always zero whilst kx= kxmod when spin_component = 1. In order to reproduce the problem I modified example06 in PP folder, then I got the same behavior: from modified

[Pw_forum] Possible Bugs in bands.x

2016-01-23 Thread Youssef
Dear all, I am facing a problem when using bands.x with spin_component = 2 , in fact, the printed values of kx are always zero whilst kx= kxmod when spin_component = 1. In order to reproduce the problem I modified example06 in PP folder, and then I got the same behavior: from modified