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--- exercises:2017_ethz_mmm:t_melting_2017 [2017/03/24 10:43] – dpasserone
+++ exercises:2017_ethz_mmm:t_melting_2017 [2017/03/24 16:29] – dpasserone
@@ Line 66: / Line 66: @@
 In this exercise, we will use a slab geometry (without vacuum region, so without a surface) with full periodic boundary conditions to study the melting behavior of copper.
-All files of this exercise (**all inputs and scripts are commented**) can be also downloaded from the wiki: {{exercise_5.1.zip|exercise_5.1.zip}}
+All files of this exercise (**all inputs and scripts are commented**) can be also downloaded from the wiki: {{exercise5.1.zip|exercise5.1.zip}}
   * First of all, we will test the NOSE-HOOVER thermostat
@@ Line 138: / Line 138: @@
   * Copy the files TEMPnpe.init.inp and TEMPnpe.inp into 1300npe.init.inp and 1300npe.inp (for T=1300) and then edit them in the appropriate points: PROJECT name, INITIAL temperature and RESTART filename.
   * Run the first simulation: qsub run -v INP=1300npe.init ; This is a very short simulation to set the temperature using the old velocities. Why do you need it?
-  * Run the second simulation: qsub run -v INP=1300npe.inp
+  * Run the second simulation: qsub run -v INP=1300npe
   * Observe the temperature and the z profile. Can you find the melting temperature? How do you choose temperatures?