QuantumATK Forum

QuantumATK => General Questions and Answers => Topic started by: afv5338 on November 4, 2024, 22:39

Title: Not able to generate the Effective Mass Analyser file
Post by: afv5338 on November 4, 2024, 22:39

Hi all,

I'm a new user and trying to follow the tutorials in the documentation. When I tried to generate the effective mass of Si at the lowest part of CB, the script ran without any error, and I got the .py and .log files but not the .hdf5 file for analyzing effective mass (as seen in the image). Any help is greatly appreciated.
(https://drive.google.com/file/d/15ELPqcQ4rpamxpp7x0fl_9FDi8DtDVei/view?usp=sharing)

Title: Re: Not able to generate the Effective Mass Analyser file
Post by: Anders Blom on November 7, 2024, 00:19

I double-checked the workflow and although it's a bit briefly described, it should be correct and clear. Maybe you forgot to update the filename simply, in which case the effective masses are stored in the original file Si-bandstructure-HSE06.hdf5?