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by glabcher
Mon May 18, 2015 9:49 pm
Forum: Other tools and postprocessing in ABINIT
Topic: Wavefunction coefficients with the corresponding G values [SOLVED]
Replies: 2
Views: 5574

Wavefunction coefficients with the corresponding G values [SOLVED]

Hi, I saw people posted the similar problem before but I still did not find the answer. I need to obtain plane-wave coefficients with the corresponding G values to construct a real-space wavefunction: Psi_n,k (r) = sum_G (C_n,k (G) * exp i(k+G)r ) So I need to know the coefficients C_n,k (G) (for ea...