[Wien] w2web command not found

ving Mozzilla web browser.Can anybody help me? Thanks in advance. Arun Kumar Chatterjee. -- next part -- An HTML attachment was scrubbed... URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20100208/b7d1f813/attachment.htm>

[Wien] bandstructure and DOS of rutile problems

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[Wien] bandstructure and DOS of rutile problems

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[Wien] nonzero energy for zero-electron system

Please check your scf-file. E-tot comes from 3 contributions: :DENthe density-potential-Exc integrals. When rho=0, this should be zero. :SUMthe sum of occupied eigenvalues (should be zero in your case) :1s the core eigenvalues, which again should be zero. I'd expect problems in :DEN,

[Wien] nonzero energy for zero-electron system

Dear Wien2k users and developers, I'm trying to calculate the total energy of the hydrogen atom with an electron removed (actually, a proton). the atom is located in the centre of 13*13*13 Bohr cubic cell, the number of electrons in case.in2 as well as the occupation numbers in case.inst was set to

[Wien] multilayers

I?m studying multilayers and I need information about crystalline structure to make my calculations. There is someone who could help me?

[Wien] multilayers

Yes! -- Duy Le PhD Student Department of Physics University of Central Florida. "Men don't need hand to do things" On Mon, Feb 8, 2010 at 8:36 AM, wrote: > > I?m studying multilayers and I need information about crystalline > structure to make m