QuantumATK Forum

QuantumATK => General Questions and Answers => Topic started by: yeshizhuo on July 18, 2019, 05:25

Title: Submit Bug
Post by: yeshizhuo on July 18, 2019, 05:25

The  "projections=ProjectOnTags" produce a wrong result in DOS(PDOS, fatbandstructure) calculation.
 I set two different tags in my scripts. Then, I calculated their PDOS. I got obvious wrong results. The same the fatbandstructures are (see the attached figure). This error is believed to only occur in ATK 2019 (In addition, the other projections, such as "projections=ProjectOnElement" works well). Because when I test the same script in ATK 2018, I got the correct results.

Title: Re: Submit Bug
Post by: Petr Khomyakov on July 18, 2019, 13:15

Please could you send your description of the bug together with the python scripts (and related log files) you used for computing fat band structures in QATK-2018 and 2019  to quantumatk-support@synopsys.com? Thank you.

Title: Re: Submit Bug
Post by: yeshizhuo on July 18, 2019, 15:51

My pleasure.