Create README.md

rpadhikari · Jan 24, 2018 · 1fa799c · 1fa799c
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+# sqs2QE_VASP
+ Converts bestsqs.out generated by mcsqs of ATAT package to Quantum-Espresso and VASP format.
+# this bash script converts bestsqs.out generated by mcsqs of ATAT package
+# file to POSCAR, vasp format and pwscf.in Quantum-Espresso format.
+# This script requires BLAS and LAPACK libraries.
+# Written by Rajendra Adhikari, Kathmandu Univeristy, Dhulikhel Kavre Nepal
+# email: rajendra.adhikari@ku.edu.np
+# Date: 01/21/2016
+# I always welcome your feedback and suggestions about this script
+#
+##### This script may NOT work out of the box #####
+# Please change the relevent variables first before use.
+# It is the responsibility of researcher to check the code before using it for
+# production purpose(s).