Hefei-NAMD

[yht-0816]

Details

Hello everyone, may I ask you how to Hefei ABACUS+Hefei-namd (tutorial: https://mcresearch.github.io/abacus-user-guide/abacus-namd.html), the output files of ABACUS can be converted into NATXT and EIGTXT files needed by Hefei NAMD by running NAC.py (this step is very fast when vasp was used before), there is no error and output in 3 hours.The following is script related to NAC.py.

Have you read FAQ on the online manual http://abacus.deepmodeling.com/en/latest/community/faq.html

• Yes, I have read the FAQ part on online manual.

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[WHUweiqingzhou]

@dyzheng could you have a look?

[AsTonyshment]

I went to Chizhou, Anhui last month and learnt a bit of Hefei-NAMD, so I will try to look into it in the near future.