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forum:data:2016:wrong_missing_ground_state [2016/11/02 13:29] – Maurits W. Haverkort | forum:data:2016:wrong_missing_ground_state [2016/11/02 13:32] – Maurits W. Haverkort | ||
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Version: | Version: | ||
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Error: Missing (ground) state. The calculation doesn' | Error: Missing (ground) state. The calculation doesn' | ||
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Output: | Output: | ||
- | ***************** | ||
- | Npsi=1 | ||
+ | Npsi=1 | ||
+ | <file Quanty_Output SingleState.out> | ||
Start of BlockGroundState. Converge 1 states to an energy with relative variance smaller than 1.490116119384766E-06 | Start of BlockGroundState. Converge 1 states to an energy with relative variance smaller than 1.490116119384766E-06 | ||
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< | < | ||
-8.2124 | -8.2124 | ||
- | ***************** | + | </ |
+ | Npsi=5 | ||
+ | <file Quanty_Output FiveStates.out> | ||
Start of BlockGroundState. Converge 5 states to an energy with relative variance smaller than 1.490116119384766E-06 | Start of BlockGroundState. Converge 5 states to an energy with relative variance smaller than 1.490116119384766E-06 | ||
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+ | </ | ||
Script: | Script: | ||
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~~DISCUSSION|Answers~~ | ~~DISCUSSION|Answers~~ | ||
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