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--- exercises:2019_conexs_newcastle:ex2 [2019/09/11 13:07] – [Linear-response TDDFT for XAS in CP2K: the XAS_TDP method] abussy
+++ exercises:2019_conexs_newcastle:ex2 [2019/09/11 13:48] – [Linear-response TDDFT for XAS in CP2K: the XAS_TDP method] abussy
@@ Line 11: / Line 11: @@
 You can find documentation for the XAS_TDP method [[ http://htmlpreview.github.io/?https://github.com/abussy/CONEXS/blob/master/xas_tdp_docs/CP2K_INPUT/FORCE_EVAL/DFT/XAS_TDP.html | here]] and refer to the {{:exercises:2019_conexs_newcastle:xas_tdp_conexs.pdf|slides}}.
-**Remember** that the LR-TDDFT code is not yet included in the main CP2K code, hence you have to modify the `module load` line in the ''cp2k.sh'' file in order to load the correct version:
+**Remember** that the LR-TDDFT code is not yet included in the main CP2K code, hence you have to modify the ''module load'' line in the ''cp2k.sh'' file in order to load the correct version:
 <code>
@@ Line 17: / Line 17: @@
 </code>
-To make sure you are using the proper version, type `module unload CP2K/6.1-foss-2017b` before launching any calculation.
+To make sure you are using the proper version, type ''module unload CP2K/6.1-foss-2017b'' before launching any calculation.
 ===== Part 1: the standard workflow =====
@@ Line 140: / Line 140: @@
 </code>
-Download this input and place it into your working directory. Make sure that the ''geometry.xyz'' file is also there. Because it is a relatively small system, we do not need to run CP2K in parallel. To launch the calculation, write in the terminal (after modifying the paths in the `cp2k.sh` file):
+Download this input and place it into your working directory. Make sure that the ''geometry.xyz'' file is also there. Because it is a relatively small system, we do not need to run CP2K in parallel. To launch the calculation, write in the terminal (after modifying the paths in the ''cp2k.sh'' file):
 <code>