Meaning of file "PBAND_SUM_SOC_SY.dat"

sourenkgu · 发表于 2024-4-30 16:13:42

Dear developers and users,
I have a question regarding the file format of "PBAND_SUM_SOC_SX.dat", PBAND_SUM_SOC_SY.dat and PBAND_SUM_SOC_SZ.dat. What type of data is in these files. Is this representing the expectation value of spin (S_x, S_y and S_z) on the band structure, or else? I calculated the band structure with spin-orbit coupling (SOC), then used the Vaspkit command '212' or '214' to get these files.

Thank you in advance!

vaspkit · 发表于 2024-5-5 20:30:01

Yes, you are right.

		自动登录	找回密码
密码			立即注册