[Wien] WIEN2k05
Peter Blaha
pblaha at zeus.theochem.tuwien.ac.at
Tue Feb 1 17:25:48 CET 2005
Dear WIEN users,
Just a short notice on a new version WIEN2k_05.1
which is ready for download to all registered users at http://www.wien2k.at
Among various other small fixes it includes:
setrmt_lapw (an utility script which sets automatically your RMTs; based on
an idea of G.Madsen; included in init_lapw and Structgen/w2web)
migrate_lapw to help you to migrate a "case" from one computer to another
like:
migrate_lapw -put user at remote-host.domain.xx:path/case
ssh user at remote-host.domain.xx "cd path/case;run_lapw"
migrate_lapw -get user at remote-host.domain.xx:path/case
dstart, lapw2 and lapw0 have been speeded up significantly by L.Marks
joint has been speeded up by F.Boucher
mixer has a symmetry check built in and writes :FGL now in sufficient
precission fixing the problem of symmetry break in hex.lattice with
min_lapw
Regards
P.Blaha
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Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
Phone: +43-1-58801-15671 FAX: +43-1-58801-15698
Email: blaha at theochem.tuwien.ac.at WWW: http://info.tuwien.ac.at/theochem/
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