[CPMD-list] Surface hopping

[Axel Kohlmeyer]

On Fri, 9 Nov 2007, Alexey Yanilkin wrote:

AY> Dear All,

dear alexey,

AY> And I have the following error :

AY> 
AY> PROGRAM STOPS IN SUBROUTINE MDPT| TMDBO.AND.TSHOP NOT POSSIBLE [PROC=   0]

so where is the question???

what part of the error message don't you understand?
obviously, the combination of options in your input
is not supported by the version of CPMD that you
are using. what else do you need to know?

cheers,
   axel.

AY> 
AY> 
AY> 
AY> Thank you in advance.
AY> 
AY> 
AY> 
AY> Sincerely yours, Alexey Yanilkin
AY> 

-- 
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Axel Kohlmeyer   akohlmey at cmm.chem.upenn.edu   http://www.cmm.upenn.edu
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