[Wien] Individual energies
24h Nhảm
kesitinhkhongduyen at gmail.com
Tue Jan 9 17:34:14 CET 2018
Dear all,
We can determine total energy from *.scf file. But I don't know where can
find individual energies for every atom. Please tell me how to determine
individual energies (example Zn and S of ZnS). Thank you.
Best regards,
Tuan Vu
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