Online Stuff

You can grep the Mulliken analysis from a res.file using gmul. Compile it with g77 gmul.f -o gmul, and type "gmul" to get some info about how to use it. Note that the code reads a "dat.bandst" file with the number of k-points, weighting factors and k-point coordinates.
Supercell generator writen in Fortran 77 ( gziped source file, Some usefull Online Notes about SCG)
Calculations of line-splittings and defect populations under uniaxial stress. Here a B-tensor must be given. ( source files).
Grep Bob's vib code - gvib. Extracts normal modes to an XYZ.movie file. There is also a brief description of how to use it.
Get E-dipole from Bob's vib code - dpol. There is also a brief description of how to use it.
Transform cartezian to relative coordinames - xyz2rel. Syntax is:
```
xyz2rel < dat
```
where the input file should contain one line with the n - number of vectors to transform, 3 lines with the unit lattice vectors in Cartezian coordinates, and n lines with the vectors to transform.
cvib, calculates the correlation coefitients between a particular mode in fort.22 file from Bob's vibe program, and a set of modes in another file feeded as parameter (fort.22.ref). The first line of the fort.22.ref file must contain the number of atoms. The syntax is something like:
```
cvib fort.22.ref min max mode 
```
where the fort.22.ref is the reference file with the number of atoms at the first line, min and max are integer interval limits for the correlation, and mode is the index of the mode to correlate.
Evaluate the average potential - pot. There is also a brief description of how to use it.

email: coutinho@excc.ex.ac.uk
Homepage: http://newton.ex.ac.uk/people/coutinho/

José Pedro Coutinho

School of Physics
University of Exeter
Stocker Road
EX4 4QL
Exeter
United Kingdom