[Pw_forum] V_loc |psi> in h_psi

Yun-Peng Wang yunpengwang85 at gmail.com
Wed Nov 2 23:49:33 CET 2011


I am looking at the pwscf code. When computing H|psi>, the kinetic part 
and nonlocal part are performed in k-space, however the local part 
V_local|psi> is performed in real space. I think calculation of local 
part V_local|psi> in k-space is more convenient if V_local can be 
transformed into k-space. What is the problem forbidding k-space 
calculation of V_local|psi> ?

best wishes,

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