[Wien] ZnO calculation failed in lapw1

2011-02-17 Thread viel...@onid.orst.edu
I am running Wien2K 10 on a Debian system, with the Intel 10 compilers and mkl 9 library. I am trying to do a simple SCF calculation with ZnO. On the second run of the SCF I get this in the STDOUT. * hup: Command

[Wien] ZnO calculation failed in lapw1

2011-02-17 Thread viel...@onid.orst.edu
I figured out the error. In the fourth line of my ZnO.struct file read 6.127815 6.127815 9.816749 90.00 90.00120.00 and I changed it to 6.127815 6.127815 9.816749 90.00 90.00 120.00 Jason Vielma Quoting vielmaj at onid.orst.edu: I am running Wien2K 10 on a