For more detailed discussion of the Coulomb cutoff, see the relevant posts in the Forum, for example here.
Default options | ||||
| rim_cut | # | (R)(RIM)(CUT) | Coulomb interaction | |
| RandQpts | # | (RIM) | Number of random q-points in the BZ | |
| RandGvec | RL | # | (RIM) | Coulomb interaction RS components |
| CUTGeo | # | "none" # CUT Coulomb Cutoff geometry: box/cylinder/sphere | ||
| %CUTBox | ||||
| 0.000|0.000|0.000| | # | CUT au Box sides | ||
| % | ||||
| CUTRadius | # | 0.000000 # CUT au Sphere/Cylinder radius | ||
| CUTCylLen | # | 0.000000 # CUT au Cylinder length | ||
Advanced options | ||||
| Verbosity level: -V RL | ||||
| FFTGvecs | RL | # | (FFT) | Plane-waves |
| CUTCol_test | # | CUT Perform a cutoff test in R-space | ||
| QpgFull | # | (F)(RIM) | Coulomb interaction: Full matrix | |
| %Em1Anys | ||||
| 0.000|0.000|0.000| | # | (RIM) | X Y Z Static Inverse dielectric matrix | |
| % | ||||
| IDEm1Ref | # | (RIM) | Dielectric matrix reference component 1(x)/2(y)/3(z) | |
| Verbosity level: -V io | ||||
| StdoHash | # | (IO) | Live-timing Hashes | |
| Verbosity level: -V gen | ||||
| Nelectro | # | Electrons number | ||