ABINIT Discussion Forums

Dear Torrent, Thank you so much for the recommendation. I will try to generate PAW datasets including semi-core state. I will inform you what is going on. Best regards Zhishuo Huang Dear Zhishuo Huang, I suppose you had a look at : Phys. Rev. B 92, 125113. In this paper several details are given abo...

Dear all Abinit users, I am doing the calculation of lifetime of positron in a system. Firstly, I did the calculation for the bulk crystal, of which the results was reasonable: 2 computations of positron lifetime have been performed (with different enhancement factors). -----------------------------...