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si_new

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  1. # # Local pseudopotentail for Si # 1002 0.02 Si/loc.1002.02_new # ngrid points, dq, and file with data # # Nonlocal parts: plain Kleinman-Bylander, so no multiple projectors (gamma=1) # 8 # number of (l,m) states # # p states: l = 1 # 1 1 1 # l,m,ngamma -2.02283799258445e+01 501 0.02 Si/nl.p.501.02_new # 1 0 1 # l,m,ngamma -2.02283799258445e+01 501 0.02 Si/nl.p.501.02_new # 1 -1 1 # l,m,ngamma -2.02283799258445e+01 501 0.02 Si/nl.p.501.02_new # # d states: l=2 # 2 2 1 # l,m,gamma -1.75076028466800e+01 501 0.02 Si/nl.d.501.02_new # 2 1 1 # l,m,gamma -1.75076028466800e+01 501 0.02 Si/nl.d.501.02_new # 2 0 1 # l,m,gamma -1.75076028466800e+01 501 0.02 Si/nl.d.501.02_new # 2 -1 1 # l,m,gamma -1.75076028466800e+01 501 0.02 Si/nl.d.501.02_new # 2 -2 1 # l,m,gamma -1.75076028466800e+01 501 0.02 Si/nl.d.501.02_new

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