[Wien] Joining mommat2_* files

Dear List, I would like to join optic's mommat2_* files from a parallel run into a single mommat2 file as from a single-processor run. To this end, can somebody tell me how the parallel files are related to the single file? I cannot seem to figure it out. Here is an example (just one data

[Wien] Intel mkl dft+fftw3

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[Wien] Intel mkl dft+fftw3

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[Wien] Intel mkl dft+fftw3

No, I made the file. However, as I mentioned in the original email there are some unresolved references ipo: warning #11021: unresolved fftw_mpi_execute_dft ipo: warning #11021: unresolved fftw_mpi_plan_dft_3d_f03 ipo: warning #11021: unresolved fftw_alloc_complex ipo: warning #11021: unresolved

[Wien] Suspicious Fermi energy values

The Fermi energy (or some eigenvalues) do not have any meaning as absolute values. We have an infinite solid, no vacuum and the constant in the coulomb potential determination is set arbitrarely to its average in the interstitial region. Thus your energy-zero is different for the 2 systems and

[Wien] Joining mommat2_* files

It should work, if you remove the comments. They are commented because mommats are not generated in a default optics run and I was too lazy to handle this properly. Am 19.02.2013 13:31, schrieb Elias Assmann: Dear List, I would like to join optic's mommat2_* files from a parallel run into a