adf:esroccproblem

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2023/10/26 12:29 *.logfile提示：ERROR DETECTED: NOCC numbers and total q-elec differ by more than 0.001. Fractional occupations? Aborting – liu.jun +1 B (当前版本)
2023/10/26 12:29 *.logfile提示：ERROR DETECTED: NOCC numbers and total q-elec differ by more than 0.001. Fractional occupations? Aborting – liu.jun +76 B
2023/10/26 11:40 *.logfile提示：ERROR DETECTED: NOCC numbers and total q-elec differ by more than 0.001. Fractional occupations? Aborting – liu.jun +6 B
2018/03/05 12:40 *.logfile提示：ERROR DETECTED: NOCC numbers and total q-elec differ by more than 0.001. Fractional occupations? Aborting – liu.jun +2 B
2018/02/12 15:29 *.logfile提示：ERROR DETECTED: NOCC numbers and total q-elec differ by more than 0.001. Fractional occupations? Aborting – 创建 liu.jun +331 B

adf/esroccproblem.txt · 最后更改: 2023/10/26 12:29 由 liu.jun

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