problem with mpshift

[micaela]

Hi,
i have some trouble with a mpshift calculation: after doing ridft successfully, i launch the mpshift program and after some iterations...

Inversion problem in dvdson(osinv)

MODTRACE: no modules on stack

fatal error in dvdson.
mpshift ended abnormally

can you explain what's happening? 0.0

regards

[uwe]

Hi,

never seen that message before, please send the files to the Turbomole support to make sure that it is not a bug (and if it is one: to get it fixed ...).

Regards,

Uwe