ABINIT Discussion Forums

hello
thank you for your quick response
i have used this command and i get the same problem

hello
every one
i'm newbie in abinit and i have this error one i try to use a PAW
the code tel me
!ERROR
message: |
Cannot use LibXC functional because ABINIT is not compiled with LibXC !
src_file: m_pawpsp.F90
src_line: 4740
...
i attached my log file

Hello i trying to do the test telast_2.in to calculat #Response function calculation for: # * rigid-atom elastic tensor # * rigid-atom piezoelectric tensor # * interatomic force constants at gamma # * Born effective charges but i'm having a convergence problem with tolwfr2 = 1.0d-20 it only get to 1...

hello
I have a monoclinic conventional cell with atomic positions obtained from a structural database,
and I need to know the primitive cell for that lattice.
is there any code to do that
thank you in advance