@@ -34,7 +34,7 @@ import sscha.Utilities
3434import argparse
3535
3636PROG_NAME = "sscha"
37- VERSION = "SSCHA, alpha version, not yet released. "
37+ VERSION = "1.1 "
3838DESCRIPTION = r"""
3939
4040
@@ -49,12 +49,13 @@ DESCRIPTION = r"""
4949
5050
5151Wellcome to the SSCHA code.
52- This script will start a SSCHA minimization
52+ This stand-alone script performs SSCHA minimization
5353according to the options parsed from the input file.
54- Note, you can also use the SSCHA utilities directly
55- by programming small and easy python scripts.
56- Refer to the documentation for more details .
54+ Note, you can also run the SSCHA with the python-APIs.
55+ The python-APIs give access to much more customizable options,
56+ not available with the stand-alone app .
5757
58+ Refer to the documentation for more details.
5859
5960
6061"""
@@ -147,7 +148,9 @@ print ("Minimization ended.")
147148minim .finalize (2 )
148149
149150# Save the final dynamical matrix
150- print ("Saving the final dynamical matrix in %s" % (minim .dyn_path + "_popuation%d_" % minim .population ))
151+ print ("Saving the final dynamical matrix in %s" % ('final_sscha_dyn_pop%d' % minim .population ))
152+ print ('Saving the final centroids into {}' .format ('final_sscha_structure_pop%d.scf' % minim .population ))
153+ print ()
151154minim .dyn .save_qe ('final_sscha_dyn_pop%d' % minim .population )
152155minim .dyn .structure .save_scf ('final_sscha_structure_pop%d.scf' % minim .population )
153156
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