The ABINIT Users Mailing List ( CLOSED )

[luppi.eleonora@unimore.it]

Dear All,
 I'm trying to make some calculations with TDDFT.
 I'd like to have some information about TDDFT implementation in ABINIT. 
 I have read that I can use: ixc 22=>  the Burke-Petersilka-Gross 
 hybrid xc-kernel, for TDDFT tests.
 Is it for tests only or for production too?
 My problem is that I have performed some tests and I have obteined 
incoherent results,
 in particular wrong for ixc 20, 21,22, with respect to the case with ixc 7 
or 1.
 (as in test :Test_v3/t55.in). 
 Another question is: have I to generate ad hoc pseudopotentials to use this 
special xc-kernels 
 or can I use simple LDA (or GGA-PBE) pseudopotentials.

 Any Help will be appreciated.

  Thank you 

   Best Regards Leo