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- Tue Dec 10, 2013 4:54 pm
- Forum: Other tools and postprocessing in ABINIT
- Topic: Proper use of "phondisp2abi.py"
- Replies: 0
- Views: 2718
Proper use of "phondisp2abi.py"
Dear all, I tried to calculate phonon dispersion with the tool chain supplied together with "Abinit". However, I constructed PAW potentials with reduced PAW radii and for the use of GGA (ixc=11) before starting E/V-curve calculations. Now it seems that I can not proceed with that choice of...