Dear Nkosinathi, It seems the problem occured in iterations. Can you give us input file?
pls reduce mixing_beta to 0.3 or lower. also change mixing_mode to local_TF and add a few extra bands. *bests* Bahadir 2015-07-30 9:48 GMT+03:00 Nkosinathi Malaza <nuttymal...@gmail.com>: > Dear family, > > I want to introduce the ESM and ESM_w on a supercell of 123 Al-H2O atoms. > When I do introduce the ESM on the system it does not finish running. > > I have attached the output file. > > Kind regards > N. Malaza > > _______________________________________________ > Pw_forum mailing list > Pw_forum@pwscf.org > http://pwscf.org/mailman/listinfo/pw_forum >
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