Hello everyone.
i was wondering could somebody help me with reading VASP CHGCAR files. I know i can use VESTA to plot them, but i'm interested in reading them by myself.
So i have CHGCAR with folowing numbers:
Bi
1.00000000000000
4.745800 0.000000 0.000000
2.568510 3.990660 0.000000
2.568510 1.401370 3.736510
Bi
2
Direct
0.233890 0.233890 0.233890
0.766110 0.766110 0.766110
56 56 56
0.13057122206E+01 0.13184257240E+01 0.13569939922E+01 0.14227318793E+01 0.15179252489E+01
0.16459376075E+01 0.18112983716E+01 0.20197297154E+01 0.22780756573E+01 0.25941098655E+01
0.29762139393E+01 0.34329320342E+01 0.39724170893E+01 0.46017859565E+01 0.53263952206E+01
0.61490400255E+01 0.70690730643E+01 0.80814505843E+01 0.91757449602E+01 0.10335219951E+02
0.11536134466E+02 0.12747501554E+02 0.13931553134E+02 0.15045121265E+02 0.16042029949E+02
......
...... (more lines with 5 numbers per line)
......
augmentation occupancies 1 78
......
The manual says:
As i understand, "56 56 56" line refers to dimensions of FFT-grid. So there must be 56*56*56=175616 values of $ \rho(r)* V_{\rm cell}$. But this number is inconsistent with number of values in CHGCAR or number of lines or smth.
What i misunderstood? Please help.
And thanks in advance!