Extract the compressed file in the home repertory ( for example)
cd ~ tar xvf tetrag_ac_v6.2.tar
Installation: in the repertory "tetrag_ac_v6.2"
chmod +x install_ac
./install_ac
Execution: we will use the example of BeZnTe
To download the struct file click on the link below:
BeZnTe.struct
To exexute the package change to the working repertory and run the following commands:
- tetra_ac_lapw ----> to do initialization (2 types of initializations)
and optimization
- ana_ac -----> to analyze and plot the results
NB: For more details check the 2 videos:
2 Comments
slm alikom, how to do optimization for trigonal structures ? thank you
ReplyDeleteplz sir where are the videos?
ReplyDelete