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Types of codes · Changes

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Update Types of codes authored Dec 07, 2020 by Gabriel Wlazłowski's avatar Gabriel Wlazłowski
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Types-of-codes.md
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......@@ -2,14 +2,14 @@
There are two main branches of codes:
* Static codes `st-wslda-?d` for solving self-consistently static DFT equations
* Time-dependent codes `td-wslda-?d` for solving time dependent DFT equations. The `td-wslda-?d` codes require starting point for the time evolution (i.e $`\psi(\vec{r},t=0)`$) which is typically generated by the static codes.
In codes names `?` stand for dimensionality, as described below.
### Codes dimensionality
#### 3D codes
# Codes dimensionality (xx: st or td)
## 3D codes: `xx-wslda-3d`
The 3D codes do not impose any restriction for form of the wave-functions. The wave-functions are assumed to be:
![\psi=\varphi(x,y,z)](https://render.githubusercontent.com/render/math?math=%5Cpsi%3D%5Cvarphi(x%2Cy%2Cz))
#### 2D codes
## 2D codes: `xx-wslda-2d`
In 2D codes the wave-functions are assumed to be:
![\psi=\varphi(x,y)\frac{1}{\sqrt{L_z}}e^{ik_z z}](https://render.githubusercontent.com/render/math?math=%5Cpsi%3D%5Cvarphi(x%2Cy)%5Cfrac%7B1%7D%7B%5Csqrt%7BL_z%7D%7De%5E%7Bik_z%20z%7D%0A)
where
......@@ -17,7 +17,7 @@ where
For `NZ=1` the code solves 2D problem (there is only one mode in z-directions, which reduces to 1). Note however, that 2D problem requires different prescription for coupling constant regularization than the one implemented in w-SLDA toolkit.
#### 1D codes
## 1D codes: `xx-wslda-1d`
In 1D codes the wave-functions are assumed to be:
![\psi=\varphi(x)\frac{1}{\sqrt{L_y}}e^{ik_y y}\frac{1}{\sqrt{L_z}}e^{ik_z z}](https://render.githubusercontent.com/render/math?math=%5Cpsi%3D%5Cvarphi(x)%5Cfrac%7B1%7D%7B%5Csqrt%7BL_y%7D%7De%5E%7Bik_y%20y%7D%5Cfrac%7B1%7D%7B%5Csqrt%7BL_z%7D%7De%5E%7Bik_z%20z%7D%0A)
where
......
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