@@ -114,7 +114,7 @@ then rerun voronoi which should work.
#### 5. Fixing inconsistent inputs
These issues reflext an inconsistent choice in the input parameter but can be fixed if the `inputcard` is modified.
These issues reflects an inconsistent choice in the input parameter but can be fixed if the `inputcard` is modified.
##### 5.1 `R_LOG` too small
...
...
@@ -153,5 +153,22 @@ The `R_LOG` parameter needs to be bigger than `Rmesh(IRMIN(I1), I1)`. In the abo
R_LOG= 0.45
```
---
##### 5.2 `KPOIBZ` too small
**Symptoms:**
The KKRhost code stops with the error message `<BZIRR3D> increase parameter KPOIBZ'`. The reason is that the k-mesh in the inputcard (`BZDIVIDE` input) can't fit into the default size of corresponding working arrays. In the output it also tells you what to do (here an example for `BZDIVIDE= 64 64 64`:
```
...
No. of k-points 262144 > KPOIBZ
STOP <BZIRR3D> increase parameter KPOIBZ'
```
**Fix:**
The `KPOIBZ` parameter needs to be bigger than `product(BZDIVIDE)`. In the above example we can fix this by changing/adding the `KPOIBZ` input in the `inputcard` with a larger value: