zhaobo zhou

Hello, I met a problem about ehrenfest dynamics. I notice that the force leading to angular momentum transfer can be excluded during the calculation of ehrenfest dynamics. How to achieve it? Best regards, Zhaobo

Hi Kay, If I set spinpol=.true. and spinorb=. false. . Does this mean that spin symmetry is broken while not considering the SOC? Best Zhaobo

Hi Kay, If I set spinpol=.true. and spinorb=. false. . Does this mean that spin symmetry is broken while not considering the SOC? Best Zhaobo

Dear Kay, Thank you for your reply. Looking forward to the latest version. Regards, Zhaobo.

Dear all, The TD magnetic moment can be calculated under an external laser field in ELK code to study the spin dynamics process, e.g. ultrafast demagnetization. I wonder if the TD magnetic moment here is the sum of spin magnetic moment and orbital magnetic moment. Or just one of them. regards, Zhaobo

Dear All, The TDDFT calculation in ELK code is based on the provided ground state lattice constant and atomic coordinates. I am curious if ELK code could export TD atomic coordinates？If so, which parameter should be added in elk.in? Best regards, Zhaobo

Hi Kay, Thank you so much. Regards, Zhaobo

Hello Everyone, I have finished the TDDFT calculation and obtained the PDOS data, e.g. PDOS_S02_A0000XXXX.OUT. But I find that it contains many lines in one file when I use it to draw a picture. Does anyone know what each line means？ Best regards, Zhaobo