[Wien] Wien2K fails for single hydrogen atom calculation at step mixer
yxphysics at gmail.com
Fri Mar 21 21:53:29 CET 2014
I did a simple wien2k13.1 LDA calculation for hydrogen atom using a
large simple cubic cell. It fails at step mixer with a segmentation fault.
Some other simple atoms look OK, but I similar error appears for heavy
atoms, like U and Pu. Any comments for this issue? Thanks.
-------------- next part --------------
An HTML attachment was scrubbed...
More information about the Wien