Added interfaces to Abinit and Quantum Espresso
There is now a -program castep/vasp/qe etc option
It was getting too hard to think of a unique identifier for the output file!
There is a new, Na2(SO4)2 example which was important because it has very asymmetric born charge matrices.
I have added an option to use Crystal's symmetrising algorithm, so provided
the HESSFREQ.DAT and the BORN.DAT files are present and
the "-hessian crystal" option is used, the Crystal frequencies should now agree with Crystal14 output.
There is -eckart flag, which forces PDielec to project out the translational modes.
The flag works for any package. It also applies projection to the LO modes.
There is a -LO_cart flag which gives the LO directions in cartesian directions.
This is the same as Abinit, so I was able to test the output against Abinit output.
There are changes in the output, as I now force the mass weighted normal modes to be unitary.
This improves the Crystal results, but it did change all the other interfaces too.
The results should still agree to between 4 and 5 significant figures with the old results.