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ecut(hartree)= 40.000 => boxcut(ratio)= 2.10744
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--- Pseudopotential description ------------------------------------------------
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- Hartwigsen-Goedecker-Hutter psp for H, from PRB58, 3641 (1998)
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- 1.00000 1.00000 10605 znucl, zion, pspdat
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3 1 0 0 2001 0.00000 pspcod,pspxc,lmax,lloc,mmax,r2well