初级版：
- 能量计算 (01, 02) 自洽循环收敛判断:
- 参数选择收敛判断（04/02）, ecut（04/01）， k点数目（04/03）
- 能带计算(05)
- 力计算 (07)
- 弛豫计算(03/01,03/02)
- 电子密度计算(06)
- 态密度计算(09)
进阶版：
- 声子谱 (08)
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