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adf:iinstallqebyhhand

自动安装QE失败,如何手动下载安装?

They can be extracted using the tar program, which is included in the AMS command line. Installing them in involves setting the SCM_QEDIR environment variable to the location where the user has extracted the files. The customer should make sure that the binaries are inside the folder $SCM_QEDIR/qe-6.3/bin, and the pseudopotential files are inside $SCM_QEDIR/upf_files-6.2.1

The example in the video users SCM_QEDIR = C:\ADF_DATA\QE. So that would be C:\ADF_DATA\QE\qe-6.3\bin and C:\ADF_DATA\QE\upf_files-6.2.1 respectively.

The SCM_QEDIR can be set using the system environment variables (findable through the start menu on windows). Alternatively it can be set through the AMS GUI using “SCM → Preferences → Environment” , click “+ → Other” and fill in the name SCM_QEDIR in the first field and the path to the extracted QE files in the second field. Restart the GUI, after which QE should be detected and usable.

adf/iinstallqebyhhand.txt · 最后更改: 2022/04/08 19:10 由 liu.jun

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