2楼: Originally posted by mywai520 at 2014-04-20 18:14:07
这个图需要自己写脚本解决，我这里写了一个python,借你用用。
#!/usr/bin/env python


from chargedensity import *
import numpy as np

a = ChargeDensity("CHG",format_="chgcar"
...

11楼: Originally posted by hakuna at 2014-04-26 18:18:54
python很强大...

12楼: Originally posted by 问天麦饼 at 2014-04-26 21:28:43
你看懂了吗？我在想现在的数据是FFT格点，如何对应到实空间呢？...

2楼: Originally posted by mywai520 at 2014-04-20 18:14:07
这个图需要自己写脚本解决，我这里写了一个python,借你用用。
#!/usr/bin/env python


from chargedensity import *
import numpy as np

a = ChargeDensity("CHG",format_="ch ...