当在终端中遇到“-bash: vaspkit: command not found”的错误时,通常表示系统无法找到名为vaspkit的命令。这可能是因为vaspkit没有正确安装,或者其安装路径没有被添加到系统的环境变量中。 要解决这个问题,你可以按照以下步骤操作: 确认vaspkit是否已安装: 检查是否已经下载了vaspkit的安装包,并且已经解压到某个目录中...
2. If the following problem occurs, your LINUX dependent library version is too low and needs to be upgraded (not recommended), you can contact the developer to get the version compiled in the low version LINUX environment. vaspkit: /lib64/libc.so.6: version `GLIBC_2.14' not found (requi...
Added a new feature to save CHGCAR/PARCHG (task 319), LOCPOT/ELFCAR (task 429) and WaveFunction files (task 512) to Gaussian Cube format; Added supoort to generate kpath with time-reversal symmetry breaking under command-line mode (tasks 302, 303 and 251), e.g., vaspkit -task 303 -t...
It is useful not only for studying the details of the system but also to obtain accurate values for the macroscopic quantities such as the potential energy and pressure. This quantity can be obtained by summing the number of atoms found at a given distance in all directions from a particular...
. Whether to auto-submit vaspkit or vasp job or not. SUBMIT_JOB_COMMAND = 'qsub job.sh' # The command line to submit job AUTO_PLOT = .FALSE. # TRUE. or .FALSE. (default: .FASLE.). Whether to auto-plot data graphs in the post-processing. # New added in Version 1.4.1 REDUCE_...