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Details for S.M. DE GIRONCOLI, P.GIANNOZZI, E.KUCUKBENLI, L.MARTIN-SAMOS
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Author in the following contribution(s)



        

            Quantum Espresso Hack Session [1]: Overview of code and project, SVN, Parallelization
        

        

            Quantum Espresso Hack Session[2]: NMR Theory in general, GIPAW Theory, Converse theory
        

        

            Quantum Espresso Hack Session[3]: Equations and implementation of GIPAW
        

        

            Quantum Espresso Hack Session[4]: Equations and implementation of GIPAW
        

        

            Quantum Espresso Hack Session[5]: Converse Approach, Recap of Theory, Redo input
        

        

            Quantum Espresso Hack Session[6]: Initialize parameters, Add the new terms to Hamiltonian
        

        

            Quantum Espresso Hack Session[7]: Calculate orbital magnetization
        

        

            Quantum Espresso Hack Session[8]: Calculate chemical shift
        

        

            Quantum Espresso Hack Session[9]: Implementation testing
        

        

            Quantum Espresso Hack Session[10]: Implementation testing
        

        

            Quantum Espresso Hack Session[11]: Post-hack progress analysis
        

        

            Quantum Espresso Hack Session[12]: Discussion , Q&A, QE SVN update/merge, Manuscript
        

        

            Quantum Espresso Hack Session[13]: J coupling Theory and equations walkthrough
        

        

            Quantum Espresso Hack Session[14]: J coupling Theory and equations walkthrough
        

        

            Quantum Espresso Hack Session[15]: Ab initio J coupling
        

        

            Quantum Espresso Hack Session[16]: Implementation of Linear Response Terms
        

        

            Quantum Espresso Hack Session[17]:Implementation of LR Terms and Testing
        

        

            Quantum Espresso Hack Session[18]: Implementation of LR Terms and Testing
        

        

            Quantum Espresso Hack Session[19]: Post-hack progress analysis
        

        

            Quantum Espresso Hack Session[20]: Discussion , Q&A, QE SVN update/merge, Manuscript
        




                                        

                                  

            



        
        


            

                
Organizers

                

                    S. de Gironcoli (SISSA/DEMOCRITOS), P. Giannozzi (University of Udine), E. Kucukbenli (EPFL), L. Martin-Samos Colomer (University of Nova Gorica). 
ICTP Local Organizer: I. Girotto