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howto:atat [2018/01/11 14:59]
alopis 		howto:atat [2021/12/09 16:42] (current)
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-This describes the use of ATAT which employs QE (Quantum Espresso 6.1.0).  Anton Lopis  11 Jan 2017+This describes the use of ATAT on Lengau and employs QE (Quantum Espresso 6.1.0).  Anton Lopis  11 Jan 2017
  
 Please find the files at   **/apps/chpc/chem/ATAT/3.36/CHPC_Running** including pbs submission/bash script and input files (see below as well). Please find the files at   **/apps/chpc/chem/ATAT/3.36/CHPC_Running** including pbs submission/bash script and input files (see below as well).
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 #PBS -m be #PBS -m be
 #PBS -M none #PBS -M none
-#PBS -o /mnt/lustre/users/alopis/ATAT_testing/out  +#PBS -o /mnt/lustre/users/alopis/ATAT_testing.out  
-#PBS -e /mnt/lustre/users/alopis/ATAT_testing/error+#PBS -e /mnt/lustre/users/alopis/ATAT_testing.error
 #PBS #PBS
  
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