[Pw_forum] Hubbard coefficients

Tommy neutrinofrancese at gmail.com
Thu May 15 23:16:48 CEST 2014


Thanks to both Giuseppe Mattioli and Pang Gui for their help!!! 
However, I need to ask one more question about the process for obtaining Hubbard coefficients: I follow the tutorials posted with the links, but a thing wasn't clear to me. After scf simple calculation, I need to "perturb" the system in a range between -0.1 & 0.1 eV. But: do i need to save a file for every perturbation induced to the system?
How can i set to QE to take every previous result and compute the U term?
Be patient, but I'm alone and i trying to do the best for my thesis!!!
Best regards,
Tommaso.
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