[Wien] minor bug

Kim Kyoo kyoo at postech.ac.kr
Wed Jan 23 07:35:27 CET 2013


Dear Wien2k users,
In Wien2k version 12, one error in symmetry with Rhombohedral structure is
fixed.
it is about complaining "negative position".
but symmetso is not fixed.
In rstruct.f line near line 327,
!                 if(pos(k1,i).lt.0.d0) stop 'ERROR: negative position in
rstruc. Please report '
                  if(pos(k1,i).lt.-1.d-7) stop 'ERROR: negative position in
rstruc. Please report '

I've searched forum but reports are about symmery, not symmetso.

best,
Kyoo


department of Physics
POSTECH
pohang, Korea.
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