Acknowledgements

1. We acknowledge Prof. Jingyao Liu, Huaili Yuan, Hong Wen for the first version of qvasp at Institute of Theoretical Chemistry of Jilin University.

2. We acknowledge Prof.Gang Tang, Xiaobing Liu at the Laboratory ofHigh Pressure Physics and Material Science, Qufu Normal University.

3. We acknowledge Wei Wang for taking “vaspkit” as an example of qvasp extension functions.

4. We acknowledge everyone’s supporting on qvasp program.

5. We acknowledge the citation: Wencai Yi∗, Gang Tang∗, Xin Chen, Bingchao Yang, Xiaobing Liu*. qvasp: A flexible toolkit for VASP users in materials simulations. Computer Physics Communications, 2020, 257: 107535. https://doi.org/10.1016/j.cpc.2020.107535

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