请问,这个问题,怎么解决呀
Some, but not all WAVECAR header information was read as expected.Most probably, this means that your WAVECAR is not consistent with your vasprun.xml, so you could have mixed something up. Please restart your VASP calculation from scratch and try again. If the problem persists, you might have found a bug.terminate called after throwing an instance of 'std::runtime_error'
what(): WAVECAR inconsistent
Aborted (core dumped)
使用VASP和Lobster计算COHP和COOP说在前面 本教程适用于对VASP有初步掌握,会使用VASP进行简单计算。如果是纯小白,请补充相关知识。 需要用到的软件 VASP这不是废话吗,VASP教程不用VASP用什么。...