报错信息rt_tddft_init_rtdb: failed to read print_dipcontribs from rtdb
解决方法:在.nw的input文件里面加一行print dipole就可以了。
nwchem跑real time tddft报错rt_tddft_init_rtdb: failed to read print_dipcontribs from rtdb
最新推荐文章于 2024-04-19 09:50:22 发布
报错信息rt_tddft_init_rtdb: failed to read print_dipcontribs from rtdb
解决方法:在.nw的input文件里面加一行print dipole就可以了。