exercises:2016_ethz_mmm:bs
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exercises:2016_ethz_mmm:bs [2016/05/27 09:56] – dpasserone | exercises:2016_ethz_mmm:bs [2016/05/27 14:36] – dpasserone | ||
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$ module load quantum_espresso | $ module load quantum_espresso | ||
- | 2. Download all the **commented** files from the media manager: {{exercise_11.2.tar.gz|}}. | + | 2. Download all the **commented** files from the media manager: {{exercise-12.tar.gz|}} |
+ | <note important> | ||
**Self-Consistent Field (SCF) calculation: | **Self-Consistent Field (SCF) calculation: | ||
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$ grep “Fermi energy” | $ grep “Fermi energy” | ||
- | 6. Copy the mol.save directory to scf.save. The scf-mol.save is required for the ' | + | 6. Copy the mol.save directory to scf-mol.save. The scf-mol.save is required for the ' |
- | $ cp -rf mol.save/ scf.save/ | + | $ cp -rf mol.save/ scf-mol.save/ |
**Non-Self-Consistent Field (NSCF) calculation: | **Non-Self-Consistent Field (NSCF) calculation: | ||
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</ | </ | ||
- | Don't forget to visit [[http:// | + | Don't forget to visit [[http:// |
exercises/2016_ethz_mmm/bs.txt · Last modified: 2020/08/21 10:15 by 127.0.0.1