computational_analysis

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--- computational_analysis [2022/04/28 08:14] – [PWscf] jyh
+++ computational_analysis [2022/09/07 16:22] (현재) – 바깥 편집 127.0.0.1
@@ 줄 1: / 줄 1: @@
-====== Quantum Espresso ======
-===== PWscf =====
+===== Quantum Espresso =====
+==== PWscf ====
   * [[https://www.quantum-espresso.org/Doc/pw_user_guide/|pw.x Guide]]
+  * [[https://www.quantum-espresso.org/Doc/INPUT_PP.html|pp.x]]
-==== Linux Shell Command ====
+===== Molecular Dyanamics Simulation =====
+  * [[https://www.lammps.org/|LAMMPS]]
+  * [[https://www.ks.uiuc.edu/Research/namd/|NAMD]]
+===== Linux Shell Command =====
   * 문자열 앞뒤의 공백제거: sed -e 's/^ *//g' -e 's/ *$//g'
+  * [[https://regexr.com/|Regular expression]]
+===== Useful Resources for Computational Physics =====
+  * [[https://www.cryst.ehu.es/cgi-bin/cryst/programs/nph-kv-list|Brillouin-zone databases of space groups]]
+  * [[http://www.xcrysden.org/|Xcrysden]]
+  * [[https://jp-minerals.org/vesta/en/download.html|VESTA]]
+  * [[https://www.materialscloud.org/work/tools/seekpath| k-path finder]]
+  * [[https://github.com/QEF/q-e | QE on github]]
+  * [[https://colab.research.google.com/ | Google Colab]]
+  * [[https://phonopy.github.io/phonopy/index.html | Phonopy]]
+  * [[https://www.shengbte.org/ | ShengBTE]]
+  * [[https://phonopy.github.io/phonopy/ | Phonopy ]]

computational_analysis.1651101282.txt.gz · 마지막으로 수정됨: 2022/09/07 16:22 (바깥 편집)