TURBOMOLE Modules > Mpshift

problem with mpshift

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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

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