Differences

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--- exercises:2016_uzh_cmest:faq [2016/12/06 11:30] – [How do I obtain the stress tensor?] scaravati
+++ exercises:2016_uzh_cmest:faq [2016/12/07 13:15] – [How do I build a slab model for a surface?] scaravati
@@ Line 14: / Line 14: @@
 <code>
-mpirun -n 8 cp2k.popt -i yourinput.inp -o youroutput.out
+$ mpirun -n 8 cp2k.popt -i yourinput.inp -o youroutput.out
 </code>
@@ Line 39: / Line 39: @@
 The basic usage to obtain a charge density difference is:
 <code>
-$PATH/cubecruncher.x -i input.cube -o output.cube -subtract subsystem.cube
+$ /users/scaravat/bin/cubecruncher.x -i input.cube -o output.cube -subtract subsystem.cube
 </code>
@@ Line 49: / Line 49: @@
 Vesta comes preinstalled on ''tcopt3'', provided that you load the proper module.
 <code>
-module load vesta
+$ module load vesta
 </code>
@@ Line 80: / Line 80: @@
 into ''SCF_GUESS RESTART'' (see the [[https://manual.cp2k.org/trunk/CP2K_INPUT/FORCE_EVAL/DFT/SCF.html#SCF_GUESS|manual]]).
-Instead, to restart e.g. the positions of the atoms along a GEO_OPT run you should add
+Instead, to restart e.g. the positions of the atoms along a GEO_OPT run, you should add
 a [[https://manual.cp2k.org/trunk/CP2K_INPUT/EXT_RESTART.html|new section]] to the input file:
 <code>