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[ÇóÖú] kinetic energy error for atom= 0.0021 (will be added to EATOM!!) ÈçºÎ½â¾ö

ÈçÌ⣬ÔÙ×ö¾²Ì¬¼ÆËãʱ³öÏÖenergy of atom  1       EATOM= -103.3076
kinetic energy error for atom=    0.0021 (will be added to EATOM!!)
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