北京超算，vasp6.3.0安装报错

[hz-hz22]

错误信息为：
Traceback (most recent call last):
File "", line 1, in

File "/public3/home/m6s001397/.conda/envs/ase/lib/python3.9/site-packages/ase/calculators/FCPelectrochem.py", line 50, in init

FileIOCalculator.__init__(self)

File "/public3/home/m6s001397/.conda/envs/ase/lib/python3.9/site-packages/ase/calculators/calculator.py", line 1107, in init

profile = self._initialize_profile(command)

File "/public3/home/m6s001397/.conda/envs/ase/lib/python3.9/site-packages/ase/calculators/calculator.py", line 1158, in _initialize_profile

raise EnvironmentError(

ase.calculators.calculator.EnvironmentError: No configuration of FCP. Missing section [FCP] in configuration
请问如何处理，十分感谢

[hellozhaoming]

非常抱歉，好久没有登陆，没看到消息。这是ase23.0版本需要定义config.ini引起的。只需要在~/.config/ase/config.ini文件里写入：
[FCP]
command =
pseudo_path =