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tetr and VASP

First of all, the main usage of tetr is to produce the VASP input files like CONTCAR and KPOINTS as described in Section 2.6.

If the DOS option is used while generating $\mathbf{k}$-points, the brill.dat file will be also produced that contains an important information needed for lev00 to calculate the DOS (Section 2.6.6.2). Note that the DOSCAR file written by VASP does give the total DOS. However, using the route of lev00 it is possible to have more functionality as described in Section 3.6.2. See Section 4.2.2.

Finally, the calculation of phonon frequencies with VASP is completely supported. tetr will take care of all input and output files as described in Section 2.6.8. No need for lev00 in this case at all!



Lev Kantorovich 2006-05-08