[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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