Differences

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--- exercises:2018_uzh_cmest:electronic_structure_dft [2018/09/17 12:52] – external edit 127.0.0.1
+++ exercises:2018_uzh_cmest:electronic_structure_dft [2020/08/21 10:15] (current) – external edit 127.0.0.1
@@ Line 78: / Line 78: @@
 In the ''&KIND'' section then one has only to specify an identifier for an entry in the respective file.
-The files are located in ''$CP2K_DATA_DIR''. Change to this directory and take a look at the file:
+The files are located in ''/sw-ng/spack/generic/linux-opensuse_leap15-x86_64/gcc-7.3.1/cp2k-5.1-4x5uuqdeu457ml2zd7etl4oezgva5kar/share/data/''. Change to this directory and take a look at the file:
 <code>
-$ cd $CP2K_DATA_DIR
+$ cd /sw-ng/spack/generic/linux-opensuse_leap15-x86_64/gcc-7.3.1/cp2k-5.1-4x5uuqdeu457ml2zd7etl4oezgva5kar/share/data/
 $ less BASIS_SET
 $ less POTENTIAL
@@ Line 135: / Line 135: @@
 <code>
-$ TIME=%E time cp2k.sopt -i ethene_LDA.inp -o ethene_LDA.out
+$ TIME=%E time cp2k.popt -i ethene_LDA.inp -o ethene_LDA.out
 :09.34
 </code>