| 修訂 | fd593c6b72971043f190e61bffd46915b3c74e90 (tree) |
|---|---|
| 時間 | 2018-12-20 15:41:55 |
| 作者 |  Mitsuaki Kawamura <kawamitsuaki@gmai...> |
| Commiter | Mitsuaki Kawamura |
Add description for PS and source browser
| @@ -3,9 +3,26 @@ PW-DFT | ||
| 3 | 3 | Sample DFT code for the lecture "Numerical Algebra for Materials Science" |
| 4 | 4 | based on the plane wave and pseudopotential. |
| 5 | 5 | |
| 6 | +Thee Local Pseudotential in the Carter group | |
| 7 | +https://carter.princeton.edu/research/local-pseudopotentials/ | |
| 8 | +is employed. | |
| 9 | + | |
| 6 | 10 | # Contents |
| 7 | 11 | |
| 8 | 12 | * src/ : Source code directory |
| 13 | +* sample/ : Sample input file | |
| 14 | +* doc/ : Input for Doxygen | |
| 9 | 15 | |
| 10 | 16 | # Compile |
| 11 | 17 | |
| 18 | +For GCC in Linux | |
| 19 | +$ cp make.inc.in make.in | |
| 20 | +$ make | |
| 21 | + | |
| 22 | +For GCC in macos | |
| 23 | +$ cp make.inc.mac make.in | |
| 24 | +$ make | |
| 25 | + | |
| 26 | +# Source browser | |
| 27 | + | |
| 28 | +http://mitsuaki1987.github.io/pwdft/index.html |
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