No module named 'pysbt'

QijingZheng / VaspBandUnfolding

A collection of python scripts that deal with VASP outpts, e.g. WAVECAR, POTCAR etc.

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No module named 'pysbt' #19

Closed byunghoETRI closed 1 year ago

byunghoETRI commented 1 year ago

Hello. When I run aewfc.py, I got the ModuleNotFoundError: No module named 'pysbt'.

traceback----> File "/root/vasp_6.1.0/gitClone/VaspBandUnfolding/All-electron-wavefunction-in-real-space.py", line 2, in from aewfc import vasp_ae_wfc File "/root/vasp_6.1.0/gitClone/VaspBandUnfolding/aewfc.py", line 5, in from pysbt import pysbt ModuleNotFoundError: No module named 'pysbt'

How can I handle this error? thanks...

QijingZheng commented 1 year ago

Please install the pySBT (https://github.com/QijingZheng/pySBT) package.

I noted that you were using vasp 6.1.0, which I have not tested myself, therefore there might be unexpected problems.

For the underlying formulation of aewfc, please refer to this post: http://staff.ustc.edu.cn/~zqj/posts/VASP-All-Electron-WFC/

byunghoETRI commented 1 year ago

Thans for your fast replay.Regards,Chung.2022. 10. 17. 오전 10:49에 郑奇靖 @.***>님이 작성: Please install the pySBT (https://github.com/QijingZheng/pySBT) package. I noted that you were using vasp 6.1.0, which I have not tested myself, therefore there might be unexpected problems. For the underlying formulation of aewfc, please refer to this post: http://staff.ustc.edu.cn/~zqj/posts/VASP-All-Electron-WFC/

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