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franciscoadasme / gist:e83f2b3e9959dd6b0f45
Created October 10, 2014 18:28
Script for Born effective charges calculation using VASP
#!/usr/bin/env bash
# Script initialization
script=$(basename "$0")
desc='Perform Born effective charges calculation, which are useful for
analyzing spontaneous polarization, using the Vienna Ab initio simulation
package, VASP.'
declare -iA errno
errno[EUNK]=1