[Wien] Re : error lapw1 unit 18

2012-05-20 Thread Gavin Abo
The error message can not open unit 18 seems incomplete. I can only guess that maybe you mixed a non-spin polarized and spin polarized run. See: http://zeus.theochem.tuwien.ac.at/pipermail/wien/2010-June/013366.html You can also find some other posts on the unit 18 error by older archives

[Wien] Re : error lapw1 unit 18

2012-05-20 Thread Laurence Marks
A more general comment. As described in the user guide, for every command there is a .def file, for instance lapw1.def or uplapw1.def. This file is created by the x command. If you read the relevant .def file you will see that it has the unit number as well as the file name. You can then track