Re: [Wien] Error (bug?) in 3ddens

2019-02-28 Thread Ruh, Thomas
Von: Wien im Auftrag von Laurence Marks Gesendet: Mittwoch, 27. Februar 2019 17:36 An: A Mailing list for WIEN2k users Betreff: [Wien] Error (bug?) in 3ddens One of my students encountered an error which looks to me like a bug in 3ddens: Reduction failed at atom

[Wien] Error (bug?) in 3ddens

2019-02-27 Thread Laurence Marks
One of my students encountered an error which looks to me like a bug in 3ddens: Reduction failed at atom: 3 Length of reduced vector larger than rmt! 2.3612351689 > 2.36 Error in Reduc I suspect that some variables are single precision in one case, double prec