esta.vaspBag.postproc.planarAverage.grid_data_reading_
¶
grid_data_read(file_location_with_name)
¶
data reading over a 3D/2D/1D grid in the format of CHGCAR/CHG file of vasp
See the CHG/CHGCAR file in the current directory
FORMAT: example of BiCuTeo------------------------------------------------------------------
BiCuTeO 1.00000000000000 4.057950 0.000000 0.000000 0.000000 4.057950 0.000000 0.000000 0.000000 9.661035 Bi Cu Te O 2 2 2 2 Direct 0.250000 0.250000 0.126886 0.750000 0.750000 0.873114 0.750000 0.250000 0.500000 0.250000 0.750000 0.500000 0.250000 0.250000 0.679141 0.750000 0.750000 0.320859 0.750000 0.250000 0.000000 0.250000 0.750000 0.000000
56 56 140 0.18889588828E+02 0.19217555305E+02 0.20196742255E+02 0.21814902925E+02 0.24044802646E+02 0.26841815535E+02 0.30131018674E+02 0.33805578097E+02 0.37709638956E+02 0.41646119069E+02 0.45387137320E+02 0.48665992089E+02 0.51228125474E+02 0.52861127779E+02 0.53422658702E+02
0.52861133231E+02 0.51228136024E+02 0.48666007074E+02 0.45387155865E+02 0.41646140190E+02
date: May 2018