Thank you for your reply.
As you mentioned, I knew FFT grid can be determined by NGXF etc.. but I don't know where and how should I write those NGXF, NGYF, NGZF in INCAR file. If I want 56*56*280 grid, should I write NGXF=56, NGYF=56, NGZF=280?
Search found 2 matches
- Tue Sep 26, 2017 6:18 am
- Forum: Bader
- Topic: Different grid points about CHGCAR
- Replies: 2
- Views: 19321
- Tue Sep 26, 2017 5:12 am
- Forum: Bader
- Topic: Different grid points about CHGCAR
- Replies: 2
- Views: 19321
Different grid points about CHGCAR
Hello, I need some help about CHGCAR file.
I want to visualize charge difference with VESTA program about Ni/WC system. But among CHGCAR files (Ni/WC, Ni, WC), only Ni CHGCAR file has different grid points. Ni/WC and WC have 56*56*280 but Ni has 54*54*250. Lattice vectors in POSCAR, KPOINTS, INCAR ...
I want to visualize charge difference with VESTA program about Ni/WC system. But among CHGCAR files (Ni/WC, Ni, WC), only Ni CHGCAR file has different grid points. Ni/WC and WC have 56*56*280 but Ni has 54*54*250. Lattice vectors in POSCAR, KPOINTS, INCAR ...