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L. N. KantorovichThis is a documentation for a package of utilities which have been written (initially at Keele and then continued in London at UCL and KCL) as pre- and post-processing tools for DFT codes working with periodic boundary conditions. At the beginning, DFT codes CASTEP and CETEP were supported. At a later stage a complete support for the VASP code has also been added. Then, the whole structure of the two codes has been reshuffled in order to allow for a more flexible support for other codes and input/output formats. An almost complete support for the SIESTA code has also been added. Recently, as of version 4.1, some basic support for QUICKSTEP has also been added! From version 4.70 partial support for Quantum Espresso was also added in TETR. No manual has been updated yet, I'll do it some time. Hopefully, this is self-explanatory and there is no hurry!
The applications (i.e. offered functionality) include:
From version 3.21, lev00 is supposed to work with the new version of vasp v.5.2 . However, since I do not have that version of vasp and have to rely on the input from users, there could be still some problems. If you experience anything unusual or the code crashes, please send me: lev00 output, POSCAR, INCAR, OUTCAR, CHGCAR, KPOINTS. tar and gzip these files into a single tar-ball and email to me. If you tried to run a DOS or PDOS calculation, then send brill.dat (generated with tetr), band.out and any other files needed as described in the manual. Your help will be greatly appreciated! By the way, to get directly the output from lev00 you may run it like this:
lev00 | tee output