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neu_1501458

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[求助] 请教关于bader电荷计算的问题

请教各位高手，我按照如下链接的方式，对构型进行bader电荷计算，

https://chuansongme.com/n/2615532953638
按照他所说的方法，输入~/bin/bader CHGCAR -ref CHGCAR_sum
最终没有得到ACF.dat
请问我应该如何才能得到ACF.dat，谢谢！

以下是我的终端显示的内容

zyycheng@zyycheng:~/20200619bader2$ ~/bin/bader CHGCAR -ref CHGCAR_sum

  GRID BASED BADER ANALYSIS  (Version 1.04 02/08/20)

  OPEN ... CHGCAR
  VASP5-STYLE INPUT FILE
  DENSITY-GRID:  140 x 144 x 320
  CLOSE ... CHGCAR
  RUN TIME: 2.72 SECONDS

  OPEN ... CHGCAR_sum
  VASP5-STYLE INPUT FILE
forrtl: severe (24): end-of-file during read, unit 100, file /home/zyycheng/20200619bader2/CHGCAR_sum
Image             PC             Routine          Line       Source
bader             000000000044F752  Unknown             Unknown  Unknown
bader             0000000000476992  Unknown             Unknown  Unknown
bader             000000000040F0CB  Unknown             Unknown  Unknown
bader             0000000000413006  Unknown             Unknown  Unknown
bader             0000000000416EDD  Unknown             Unknown  Unknown
bader             0000000000402B08  Unknown             Unknown  Unknown
bader             0000000000402472  Unknown             Unknown  Unknown
bader             0000000000504854  Unknown             Unknown  Unknown
bader             0000000000504AD1  Unknown             Unknown  Unknown
bader             0000000000402346  Unknown             Unknown  Unknown
zyycheng@zyycheng:~/20200619bader2$ ls
AECCAR0  bader CHGCAR_sum  DOSCAR INCAR OUTCAR  POTCAR    WAVECAR
AECCAR1  CHG    chgsum3.pl  EIGENVAL  KPOINTS  PCDAT REPORT    XDATCAR
AECCAR2  CHGCAR  CONTCAR    IBZKPT OSZICAR  POSCAR  vasprun.xml

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