Differences

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--- home [2024/04/16 12:51] – a.boev
+++ home [2024/04/16 12:54] (current) – a.boev
@@ Line 45: / Line 45: @@
 === Other software ===
-* [[https://atomsk.univ-lille.fr/doc/en/index.html| Atomsk - a set of tools for structure manipulation useful in DFT calculations]]
+  * [[https://atomsk.univ-lille.fr/doc/en/index.html| Atomsk ]] - a set of tools for structure manipulation useful in DFT calculations
+  * [[https://github.com/zorkzou/UniMoVib| UniMoVib ]] A unified interface for molecular harmonic vibrational frequency calculations. (Vibrational analysis, partial hessian)
-[[https://github.com/zorkzou/UniMoVib| Vibrational analysis, partiall hessian]]
 ==== Simulation ====
@@ Line 55: / Line 54: @@
   * [[soft:Gaussian|Gaussian]]
   * [[soft:Orca|Orca]]
-  * https://www.quanty.org/documentation/tutorials/small_programs_a_quick_start/start - learn QM
+  * [[https://www.quanty.org/documentation/tutorials/small_programs_a_quick_start/start| quanty]] - learn QM
@@ Line 75: / Line 74: @@
   * [[theory:TM|Transition metal oxides: Hubbard model, Jahn Teller, Spin-orbit coupling]]
   * [[theory:phonos|Phonons]]
+  * [[theory:Liion|Li-ion Descriptors]]
- * [[theory:Liion|Li-ion Descriptors]]