phonopy声子计算软件的安软

1、一.Anaconda4.2.0安装，这一部分下载安装很简单：下载安装网址：可以自己百度 ；二.phonopy的安装1、解压tar xzvf phonopy-1.9.3.tar.gz2、进入安散艉九慊装目录cd phonopy-1.9.33、安装python setup.py install --prefix=/gpfs/home/wjqiu/software/phonopy-1.9.34、vim ~/.bashrc文件export PYTHONPATH=$PYTHONPATH:/gpfs/home/wjqiu/software/phonopy-1.9.3/lib/pythonexport PATH=/gpfs/home/wjqiu/software/phonopy-1.9.3/bin:$PATH5、让.bashrc里面的文件生效source ~/.bashrc6.输入命令：phonopy，出现下图的图像_ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | || |_) | | | | (_) | | | | (_) || |_) | |_| || .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, ||_| |_| |___/ 1.9.3Crystal structure file of POSCAR (default file name) could not be found. ___ _ __ _ __ ___ _ __ / _ \ '__| '__/ _ \| '__|| __/ | | | | (_) | | \___|_| |_| \___/|_|