pwmat:demo:bandsctructure
差别
这里会显示出您选择的修订版和当前版本之间的差别。
| 后一修订版 | 前一修订版 | ||
| pwmat:demo:bandsctructure [2024/02/04 08:52] – 创建 pengge | pwmat:demo:bandsctructure [2026/07/30 04:09] (当前版本) – 外部编辑 127.0.0.1 | ||
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| + | ~~DISCUSSION: | ||
| ====== Bandsctructure calculation ====== | ====== Bandsctructure calculation ====== | ||
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| < | < | ||
| - | - Read IN.VR from previous SCF calculation. To copy OUT.VR and OUT.FERMI from the SCF calculation of example [[scf.md|Si SCF Calculation]] to your current working drectory and rename IN.VR. | + | - Read IN.VR from previous SCF calculation. To copy OUT.VR and OUT.FERMI from the SCF calculation of example [[scf|Si SCF Calculation]] to your current working drectory and rename IN.VR. |
| - IN.KPT is the k-points file which PWmat will use for band structure calculation, | - IN.KPT is the k-points file which PWmat will use for band structure calculation, | ||
| 行 93: | 行 94: | ||
| < | < | ||
| - | Submit the task with a pbs script | + | Submit the task with a pbs script |
| </ | </ | ||
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| </ | </ | ||
| - | {{../image/bandstructure.png| band}} | + | {{: |
| ===== Download ===== | ===== Download ===== | ||
pwmat/demo/bandsctructure.1707036758.txt.gz · 最后更改: 2024/02/04 08:52 由 pengge