Total Pageviews

Monday, 4 April 2016


看 phonopy 的文档:
Band structure is plotted reading phonopy output in band.yaml format. -o option with a file name is used to save the plot into a file in PDF format. A few more options are prepared and shown by -h option. If you specify more than two yaml files, they are plotted together.
bandplot band.yaml
To obtain a simple text format data:
bandplot --gnuplot band.yaml
如果你想把数据放在 origin 等软件里面画图,直接执行
bandplot –gnuplot band.yaml > band.dat
提示:其中 band.dat 的第一行是 q 点的位置。

Phonopy web site is moved!