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==Installation of nfreq== * Open a terminal (#1) and execute: whereis molden * The first result should be similar to the line below, continue to next step. Otherwise, please install molden following next section. molden: /opt/molden4.8/molden * Open another terminal (#2), log into tekla2, and execute: mkdir ~/bin # Ignore any error messages cp /home/rgarcia/bin/{nfreq.sh,cell.f,cell.exe} ~/bin/ * Open another terminal (#3) and execute: mkdir ~/bin # Ignore any error messages cp ~/teklahome/bin/{nfreq.sh,cell.f,cell.exe} ~/bin/ * Open another terminal (#4). Navigate to any calculation which contains a frequency calculation without login into tekla2, and execute: nfreq.sh * Optional: If you want to extend the cell (eg 3 times in ''x'', 2 in ''y'', 1 in ''z'', you may use: nfreq.sh 3 2 1 * Optional: If you want to check the frequencies contained in other folder, you may use: nfreq.sh /path/to/frq/OUTCAR/file * You may combine the last two commands.
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