[Pw_forum] band symmetry analysis for Pt (example04 in PP directory)

2013-04-12 Thread Miao Gao
lp will be appreciated. Best Miao Gao -- Ph.D. student of Department of Physics, Renmin University of China. -- -- next part -- An HTML attachment was scrubbed... URL: http://pwscf.org/

[Pw_forum] neb-GPU

2013-04-12 Thread Filippo Spiga
paradise.? ~ David Hilbert -- next part -- An HTML attachment was scrubbed... URL: http://pwscf.org/pipermail/pw_forum/attachments/20130412/fd724d47/attachment.html

[Pw_forum] band symmetry analysis for Pt (example04 in PP directory)

2013-04-12 Thread Paolo Giannozzi
There is a doubly-degenerate state at 34.84024 eV that is not present in the reference results. It might be a consequence of the change of default starting wavefunctions: a small randomization is added to the superposition of atomic wavefunctions. This breaks the symmetry and prevents iterative

[Pw_forum] Spin Polarised Transport

2013-04-12 Thread Alex Smogunov
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[Pw_forum] Spin Polarised Transport

2013-04-12 Thread Mugdha Dave
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[Pw_forum] pw_forum list

2013-04-12 Thread raha khalili
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[Pw_forum] PW is frozen

2013-04-12 Thread Filippo Spiga
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[Pw_forum] parallel execution

2013-04-12 Thread Filippo Spiga
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[Pw_forum] neb-GPU

2013-04-12 Thread Filippo Spiga
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[Pw_forum] Coursera promotes a course for HPC

2013-04-12 Thread Filippo Spiga
http://pwscf.org/pipermail/pw_forum/attachments/20130412/06d07893/attachment.html

[Pw_forum] neb-GPU

2013-04-12 Thread Eugenio Furtado
, CEP 21941-909 "Together the parts makes a giant..." -- next part -- An HTML attachment was scrubbed... URL: http://pwscf.org/pipermail/pw_forum/attachments/20130412/5c8b51a8/attachment.html

[Pw_forum] projwfc.x

2013-04-12 Thread Paolo Giannozzi
On Fri, 2013-04-12 at 10:35 +0100, Sakhrawi Taoufek wrote: > Error in routine projwfc (1): reading projwfc namelist you didn't read the line just before that one, did you? *** namelist &inputpp no longer valid: please use &projwfc instead P. -- Paolo Giannozzi, Dept. Chemistry&Phy

[Pw_forum] projwfc.x

2013-04-12 Thread Giovanni Cantele
+39 081 676910 Skype contact: giocan74 ResearcherID: http://www.researcherid.com/rid/A-1951-2009 Web page: http://people.na.infn.it/~cantele http://www.nanomat.unina.it -- next part -- An HTML attachment was scrubbed... URL: http://pwscf.org/pipermail/pw_forum/attachments/20130412/f543cd4f/attachment.html

[Pw_forum] projwfc.x

2013-04-12 Thread Lorenzo Paulatto
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[Pw_forum] projwfc.x

2013-04-12 Thread Bertrand SITAMTZE
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[Pw_forum] projwfc.x

2013-04-12 Thread Sakhrawi Taoufek
', ??? degauss=0.01, ??? Emin=2.0,? Emax=22.0, DeltaE=0.1, smoothing=0.3, / -- next part -- An HTML attachment was scrubbed... URL: http://pwscf.org/pipermail/pw_forum/attachments/20130412/282ed35f/attachment.html

[Pw_forum] Problem in QHA

2013-04-12 Thread zafar rasheed
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