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| Original file line number | Diff line number | Diff line change |
|---|---|---|
| @@ -0,0 +1,13 @@ | ||
| ============================================= | ||
| NCoulombIntra 8 | ||
| ============================================= | ||
| ================== CoulombIntra ================ | ||
| ============================================= | ||
| 0 4.000000000000000 | ||
| 1 4.000000000000000 | ||
| 2 4.000000000000000 | ||
| 3 4.000000000000000 | ||
| 4 4.000000000000000 | ||
| 5 4.000000000000000 | ||
| 6 4.000000000000000 | ||
| 7 4.000000000000000 |
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| Original file line number | Diff line number | Diff line change |
|---|---|---|
| @@ -0,0 +1,13 @@ | ||
| ================================ | ||
| NlocalSpin 0 | ||
| ================================ | ||
| ========i_0LocSpn_1IteElc ====== | ||
| ================================ | ||
| 0 0 | ||
| 1 0 | ||
| 2 0 | ||
| 3 0 | ||
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| Original file line number | Diff line number | Diff line change |
|---|---|---|
| @@ -0,0 +1,12 @@ | ||
| -------------------- | ||
| Model_Parameters 0 | ||
| -------------------- | ||
| VMC_Cal_Parameters | ||
| -------------------- | ||
| CDataFileHead zvo | ||
| CParaFileHead zqp | ||
| -------------------- | ||
| Nsite 8 | ||
| Ncond 8 | ||
| 2Sz 0 | ||
| RndSeed 123456789 |
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| Original file line number | Diff line number | Diff line change |
|---|---|---|
| @@ -0,0 +1,6 @@ | ||
| ModPara modpara.def | ||
| LocSpin locspn.def | ||
| Trans trans.def | ||
| CoulombIntra coulombintra.def | ||
| Orbital orbitalidx.def | ||
| Initial initial.def |
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| Original file line number | Diff line number | Diff line change |
|---|---|---|
| @@ -0,0 +1,101 @@ | ||
| ============================================= | ||
| NOrbitalIdx 32 | ||
| ComplexType 0 | ||
| ============================================= | ||
| ============================================= | ||
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| Original file line number | Diff line number | Diff line change |
|---|---|---|
| @@ -0,0 +1,53 @@ | ||
| ======================== | ||
| NTransfer 48 | ||
| ======================== | ||
| ========i_j_s_tijs====== | ||
| ======================== | ||
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| 7 1 4 1 1.000000000000000 -0.000000000000000 |
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| Original file line number | Diff line number | Diff line change |
|---|---|---|
| @@ -0,0 +1,13 @@ | ||
| ============================================= | ||
| NCoulombIntra 8 | ||
| ============================================= | ||
| ================== CoulombIntra ================ | ||
| ============================================= | ||
| 0 4.000000000000000 | ||
| 1 4.000000000000000 | ||
| 2 4.000000000000000 | ||
| 3 4.000000000000000 | ||
| 4 4.000000000000000 | ||
| 5 4.000000000000000 | ||
| 6 4.000000000000000 | ||
| 7 4.000000000000000 |
This file contains bidirectional Unicode text that may be interpreted or compiled differently than what appears below. To review, open the file in an editor that reveals hidden Unicode characters.
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| Original file line number | Diff line number | Diff line change |
|---|---|---|
| @@ -0,0 +1,13 @@ | ||
| ================================ | ||
| NlocalSpin 0 | ||
| ================================ | ||
| ========i_0LocSpn_1IteElc ====== | ||
| ================================ | ||
| 0 0 | ||
| 1 0 | ||
| 2 0 | ||
| 3 0 | ||
| 4 0 | ||
| 5 0 | ||
| 6 0 | ||
| 7 0 |
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| Original file line number | Diff line number | Diff line change |
|---|---|---|
| @@ -0,0 +1,12 @@ | ||
| -------------------- | ||
| Model_Parameters 0 | ||
| -------------------- | ||
| VMC_Cal_Parameters | ||
| -------------------- | ||
| CDataFileHead zvo | ||
| CParaFileHead zqp | ||
| -------------------- | ||
| Nsite 8 | ||
| Ncond 8 | ||
| 2Sz 0 | ||
| RndSeed 123456789 |
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| Original file line number | Diff line number | Diff line change |
|---|---|---|
| @@ -0,0 +1,6 @@ | ||
| ModPara modpara.def | ||
| LocSpin locspn.def | ||
| Trans trans.def | ||
| CoulombIntra coulombintra.def | ||
| Orbital orbitalidx.def | ||
| Initial initial.def |
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| Original file line number | Diff line number | Diff line change |
|---|---|---|
| @@ -0,0 +1,133 @@ | ||
| ============================================= | ||
| NOrbitalIdx 64 | ||
| ComplexType 0 | ||
| ============================================= | ||
| ============================================= | ||
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| 0 1 1 | ||
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