[Wien] installing linux in icore3 systems

Not all Linux versions works with every PC (or laptop), often time only a limited number of the Linux flavours can works with a PC. In your case, you might want to try other Linux OSs - for example, Ubuntu, Mandriva etc. Regards, Wen --Original Message-- From:Ramkumar Thapar.k.thapa

[Wien] installing linux in icore3 systems

at zeus.theochem.tuwien.ac.at http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien -- next part -- An HTML attachment was scrubbed... URL: http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20110217/615b83cd/attachment.htm

[Wien] Interstitial hybridization

The best way is to use the Wannier functions. Interface WIEN2kWannier between WIEN2k and WANNIER90 appeared recently in WIEN2k 'unsupported' software'. Regards Pavel Novak On Wed, 16 Feb 2011, Andres E Becerra-Toledo wrote: Hello, I am running a calculation for an oxide in hybrid mode

[Wien] Counting the numer of electrons / slightly metallic tail crossing EF

When plotting the DOS of the VB electrons, a large contribution at the interstitial region is simply missing. --H. Wu On Thursday 17 February 2011 15:17, Son Won-joon wrote: Dear WIEN2k Gurus. I am a novice with WIEN2k calculations, and now doing some spin polarized GGA(+U) caculations of

[Wien] ZnO calculation failed in lapw1

I am running Wien2K 10 on a Debian system, with the Intel 10 compilers and mkl 9 library. I am trying to do a simple SCF calculation with ZnO. On the second run of the SCF I get this in the STDOUT. * hup: Command

[Wien] ZnO calculation failed in lapw1

I figured out the error. In the fourth line of my ZnO.struct file read 6.127815 6.127815 9.816749 90.00 90.00120.00 and I changed it to 6.127815 6.127815 9.816749 90.00 90.00 120.00 Jason Vielma Quoting vielmaj at onid.orst.edu: I am running Wien2K 10 on a