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go back to [[Main Page]], [[Group Pages]], [[Núria_López_and_Group]], [[The_KPOINTS_file]] [[Scripts_for_VASP]] | |||
Instructions: Put this script as executable in your ~/bin folder. | Instructions: Put this script as executable in your ~/bin folder. | ||
Revision as of 15:23, 21 May 2013
go back to Main Page, Group Pages, Núria_López_and_Group, The_KPOINTS_file Scripts_for_VASP
Instructions: Put this script as executable in your ~/bin folder.
#!/bin/bash ########################################## # Rodrigo García-Muelas @ iciq-Tgn # # Jan 10, 2013 # # For automatic generation of Γ-centered # # Monkhorst-Pack grid of KPOINTS # ########################################## # Input ################################## # 1 2 3 # number of divisions # # 4 # title of first line (optional) # ########################################## if [ -z $4 ] ; then # If title if empty cat >KPOINTS<<! K-POINTS 0 Gamma $1 $2 $3 0 0 0 ! else # If title if specified cat >KPOINTS<<! $4 0 Gamma $1 $2 $3 0 0 0 ! fi