[CP2K:10057] TM functional

Luca luca.d... at gmail.com
Fri Mar 2 14:56:46 UTC 2018

Dear prof. Hutter

thank you for your reply. 
I emailed our issue to the libxc mailing list.
I have just received what is stated below:

*Hi,I also had such problem with TMx. In addition to the usualtau = 
max(tau,tauw)(tau and tauw are the KS and Weizsäcker kinetic energies)*
*that should be always used in general, I also needed*

*to add something likeif (abs(tau) .lt. 1.0d-18) tau = 1.0d-18for TMx 
because of divisons tauw/tau. It should be the sameproblem for you.*
*Best regards,*

Do I need to change the CP2K code?
If yes, could you please point me where?


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