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极速小木虫

木虫 (小有名气)

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[交流] 【求助】求助用哪种小程序，如何提取BAND数据，画能带图。急！！！！！！！！！！

我用自己的一个小程序，操作如下
inux-cdh0:~/Desktop/BAND # ./a.out
bash: ./a.out: 权限不够
linux-cdh0:~/Desktop/BAND # ls
a.out CONTCAR IBZKPT nohup.out  POSCAR  r33       XDATCAR
BAND DOSCAR INCAR    OSZICAR POTCAR  r34
CHG    EIGENVAL  KPOINTS OUTCAR    r31    rf
CHGCAR  ELFCAR LOG-BAND  PCDAT    r32    vasprun.xml
linux-cdh0:~/Desktop/BAND # chmod +x ./a.out
linux-cdh0:~/Desktop/BAND # ls
a.out CONTCAR IBZKPT nohup.out  POSCAR  r33       XDATCAR
BAND DOSCAR INCAR    OSZICAR POTCAR  r34
CHG    EIGENVAL  KPOINTS OUTCAR    r31    rf
CHGCAR  ELFCAR LOG-BAND  PCDAT    r32    vasprun.xml
linux-cdh0:~/Desktop/BAND # ./a.out
please input the number of atoms
48
forrtl: severe (24): end-of-file during read, unit 11, file /root/Desktop/BAND/DOSCAR
Image             PC       Routine          Line       Source
a.out             0808AC1C  Unknown             Unknown  Unknown
a.out             080894AD  Unknown             Unknown  Unknown
a.out             0806BD6A  Unknown             Unknown  Unknown
a.out             0804C6E6  Unknown             Unknown  Unknown
a.out             0805AC30  Unknown             Unknown  Unknown
a.out             08049EF4  Unknown             Unknown  Unknown
a.out             08049476  Unknown             Unknown  Unknown
libc.so.6       F7E20705  Unknown             Unknown  Unknown
a.out             080493A1  Unknown             Unknown  Unknown

不知道哪里出现问题，请知道的人解答下

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