smeagol_usage
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smeagol_usage [2012/05/02 12:35] prokop |
smeagol_usage [2012/05/02 12:36] prokop |
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| the plot for our basis set looks like this, but it can differ slightly with basiset | the plot for our basis set looks like this, but it can differ slightly with basiset | ||
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| + | Transmussion coefficient for Dithiobenzene between gold 100 electrodes with 1 k-point. Basis used was | ||
| + | H_s3.8 C_s4.0_p4.5_d5.40 S_s4.2_p4.7_d5.5 Au_s5.0_p5.6_d4.7 | ||
| {{:smeagol:au-dtb-trcoef.png| Transmussion coefficient for Dithiobenzene between gold 100 electrodes with 1 k-point. Basis used was | {{:smeagol:au-dtb-trcoef.png| Transmussion coefficient for Dithiobenzene between gold 100 electrodes with 1 k-point. Basis used was | ||
| H_s3.8 C_s4.0_p4.5_d5.40 S_s4.2_p4.7_d5.5 Au_s5.0_p5.6_d4.7 | H_s3.8 C_s4.0_p4.5_d5.40 S_s4.2_p4.7_d5.5 Au_s5.0_p5.6_d4.7 | ||
| }} | }} | ||
smeagol_usage.txt ยท Last modified: 2012/11/30 15:21 (external edit)
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