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--- exercises:common:ensemble [2022/10/31 17:25] – [NVT Ensemble] jglan
+++ exercises:common:ensemble [2022/10/31 17:28] (current) – [NVT Ensemble] jglan
@@ Line 234: / Line 234: @@
       REGION MASSIVE
       &NOSE                    #Uses the Nose-Hoover thermostat
-        TIMECON 1000           #timeconstant of the thermostat chain, how often does thermostat adjust your system
+        TIMECON 100           #timeconstant of the thermostat chain, how often does the thermostat adjust your system
       &END NOSE
     &END
@@ Line 240: / Line 240: @@
+Alternatively, one can also use [[https://manual.cp2k.org/cp2k-2022_1-branch/CP2K_INPUT/MOTION/MD/THERMOSTAT/CSVR.html| Canonical sampling through velocity rescaling
+(CSVR)]] as developed by Giovanni [[https://doi.org/10.1063/1.2408420 |Bussi et al. ]]
+  &MD
+    ENSEMBLE NVT
+    STEPS 3000
+    TIMESTEP 5
+    TEMPERATURE 298
+    &THERMOSTAT
+      &CSVR
+        TIMECON 100           #timeconstant of the CSVR, how often does the thermostat adjust your system
+      &END CSVR
+    &END
+  &END MD
 ===== NPT Ensemble  =====