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pwdft: Commit

Source code and sample for Educational-PWDFT


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Revisionfd593c6b72971043f190e61bffd46915b3c74e90 (tree)
Zeit2018-12-20 15:41:55
AutorMitsuaki Kawamura <kawamitsuaki@gmai...>
CommiterMitsuaki Kawamura

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Add description for PS and source browser

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--- a/README
+++ b/README
@@ -3,9 +3,26 @@ PW-DFT
33 Sample DFT code for the lecture "Numerical Algebra for Materials Science"
44 based on the plane wave and pseudopotential.
55
6+Thee Local Pseudotential in the Carter group
7+https://carter.princeton.edu/research/local-pseudopotentials/
8+is employed.
9+
610 # Contents
711
812 * src/ : Source code directory
13+* sample/ : Sample input file
14+* doc/ : Input for Doxygen
915
1016 # Compile
1117
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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