... | @@ -40,6 +40,7 @@ program. |
... | @@ -40,6 +40,7 @@ program. |
|
|
|
|
|
- For this run set `lhdio=F` and 'lrestart=T'. Use one core for the calculation, with a large amount of memory (usually more than 100Gb).
|
|
- For this run set `lhdio=F` and 'lrestart=T'. Use one core for the calculation, with a large amount of memory (usually more than 100Gb).
|
|
- In the output, check if the physical quantities agree with the results from the impurity run (ie. spin moment, charge etc). A small difference of ~1% is to be expected. The files containing the susceptibility information are `ia*.chif`, `ia*.chid`, `ia*.chi0`.
|
|
- In the output, check if the physical quantities agree with the results from the impurity run (ie. spin moment, charge etc). A small difference of ~1% is to be expected. The files containing the susceptibility information are `ia*.chif`, `ia*.chid`, `ia*.chi0`.
|
|
|
|
|
|
| keyword | description | specialties |
|
|
| keyword | description | specialties |
|
|
|---------|-------------|-------------|
|
|
|---------|-------------|-------------|
|
|
| *ia*.chif* | Components of the susceptibility matrix | |
|
|
| *ia*.chif* | Components of the susceptibility matrix | |
|
... | | ... | |