[Wien] format 699 in lapw0.F

2011-05-10 Thread Peter Blaha
Thanks. This was reported before and has been fixed beginning of April. See: http://zeus.theochem.tuwien.ac.at/pipermail/wien/2011-April/014478.html Am 09.05.2011 18:24, schrieb Gilles Hug: Dear Peter and Wien2kers, I have compiled Wien2k_11 with gfortran and gotoblas. During execution

[Wien] lapw1 problem with PbTiO3

2011-05-10 Thread viel...@onid.orst.edu
I am doing a simple calculation with PbTiO3 and I am having a problem on the second SCF cycle. I get this error. # forrtl: severe (24): end-of-file during read, unit 5, file /home/vielmaj/PT/PT.in1 Image