Vaspkit User

Dear Dr. Wang, I attempted to reproduce the optical absorption spectrum reported in your paper (https://www.sciencedirect.com/science/article/pii/S0010465521001454), using the exact same input files provided in the VASPKIT repository (INCAR1..4, KPOINTS, POSCAR) and the same PBE-POTCAR. However, my calculated absorption spectrum does not align perfectly with the published results. In particular, the first major absorption peak appears at approximately 2.4 eV in my calculation, whereas your published...

Dear Dr. Wang, I attempted to reproduce the optical absorption spectrum reported in your paper (https://www.sciencedirect.com/science/article/pii/S0010465521001454), using the exact same input files provided in the VASPKIT repository (INCAR1..4, KPOINTS, POSCAR) and the same PBE-POTCAR. However, my calculated absorption spectrum does not align perfectly with the published results. In particular, the first major absorption peak appears at approximately 2.4 eV in my calculation, whereas your published...

Dear Dr. Wang, I attempted to reproduce the optical absorption spectrum reported in your paper (https://www.sciencedirect.com/science/article/pii/S0010465521001454), using the exact same input files provided in the VASPKIT repository (INCAR1..4, KPOINTS, POSCAR) and the same PBE-POTCAR. However, my calculated absorption spectrum does not align with the published results. In particular, the first major absorption peak appears at approximately 2.4 eV in my calculation, whereas your published figure...

Dear Dr. Wang, I attempted to reproduce the optical absorption spectrum reported in your paper (https://www.sciencedirect.com/science/article/pii/S0010465521001454), using the exact same input files provided in the VASPKIT repository (INCAR1..4, KPOINTS, POSCAR) and the same PBE-POTCAR. However, my calculated absorption spectrum does not align with the published results. In particular, the first major absorption peak appears at approximately 2.4 eV in my calculation, whereas your published figure...