October 2011 Archives by author

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Starting: Sat Oct 1 10:27:14 CEST 2011
Ending: Mon Oct 31 09:59:17 CET 2011
Messages: 159

• [Wien] Problem with SO calculations   Peter Blaha
• [Wien] ERROR: negative position in rstruc. Please report   Peter Blaha
• [Wien] question about transition core-core   Peter Blaha
• [Wien] initial spin split   Peter Blaha
• [Wien] question about ISPLIT and orbital degeneracy   Peter Blaha
• [Wien] Some Question about Wien2K Package!   Peter Blaha
• [Wien] WARNING: EF not accurate, new emin,emax,NE-min,NE-max   Peter Blaha
• [Wien] DMFT   Peter Blaha
• [Wien] k mesh   Peter Blaha
• [Wien] Which computer operating system?   Peter Blaha
• [Wien] input_files   Peter Blaha
• [Wien] Thank you- there is another question!   Peter Blaha
• [Wien] error after submitting the job   Peter Blaha
• [Wien] orbital-projected charge   Peter Blaha
• [Wien] The symmetry is not recognized by Wien   Peter Blaha
• [Wien] The symmetry is not recognized by Wien   Peter Blaha
• [Wien] zero DOS at fermi level   Peter Blaha
• [Wien] [SPAM?] LSDA + U calculation   Peter Blaha
• [Wien] valence charge   Peter Blaha
• [Wien] [SPAM?] LSDA + U calculation   Peter Blaha
• [Wien] Need advice for modeling the band gap in a charge transfer insulator   Peter Blaha
• [Wien] band structure   Peter Blaha
• [Wien] Need advice for modeling the band gap in a charge transfer insulator   Peter Blaha
• [Wien] Bus error   Peter Blaha
• [Wien] Rutile structure and antiferromagnetic calculation   Peter Blaha
• [Wien] (no subject)   Malgorzata Bukala
• [Wien] (no subject)   Malgorzata Bukala
• [Wien] input_files   Valentina Capogrosso
• [Wien] input_files   Valentina Capogrosso
• [Wien] input_files   Valentina Capogrosso
• [Wien] Need advice for modeling the band gap in a charge transfer insulator   Shamik Chakrabarti
• [Wien] lapwdm   Stefaan Cottenier
• [Wien] question about ISPLIT and orbital degeneracy   Georg Eickerling
• [Wien] Error in Parallel Optical Calculations   Chinedu Ekuma
• [Wien] Error in Parallel Optical Calculations   Chinedu Ekuma
• [Wien] spin texture?   Gerhard Fecher
• [Wien] 'LOPW' - Plane waves exhausted   Gerhard Fecher
• [Wien] Problem with SO calculations   Gerhard Fecher
• [Wien] 'LOPW' - Plane waves exhausted   Gerhard Fecher
• [Wien] spin texture?   Gerhard Fecher
• [Wien] A general question about Spin Polarized calculation/materials   Gerhard Fecher
• [Wien] A general question about Spin Polarized calculation/materials   Gerhard Fecher
• [Wien] structure file   Gerhard Fecher
• [Wien] band structure   Gerhard Fecher
• [Wien] lapw1 divide by zero error   Gerhard Fecher
• [Wien] Elastic constants for Orthorhombic Case (128 atom Supercell)   Rostam Golesorkhtabar
• [Wien] Elastic constants for Orthorhombic Case (128 atomSupercell)   Rostam Golesorkhtabar
• [Wien] A Package for finding elastic constants of orthorhombic symmetry but .....   Rostam Golesorkhtabar
• [Wien] how to enhance the plot DOS numbers under w2web   Aboudi Hamouda
• [Wien] Error in Parallel Optical Calculations   Ong Phuong Khuong
• [Wien] Electron density   Andrzej Koleżyński
• [Wien] LDA+U   Fagner Leite Leite
• [Wien] error message   Kurt Lejaeghere
• [Wien] error message   Kurt Lejaeghere
• [Wien] 'LOPW' - Plane waves exhausted   Laurence Marks
• [Wien] 'LOPW' - Plane waves exhausted   Laurence Marks
• [Wien] Eigenvalue mix-up - large unit cells   Laurence Marks
• [Wien] error message   Laurence Marks
• [Wien] MSR1a   Laurence Marks
• [Wien] rare earth + Mo system   Laurence Marks
• [Wien] lapw1 divide by zero error   Laurence Marks
• [Wien] lapw1 divide by zero error   Laurence Marks
• [Wien] bug in DOS input file?   Eamon McDermott
• [Wien] ploting potential   Mohamad Monazam
• [Wien] Rutile structure and antiferromagnetic calculation   Pablo de la Mora
• [Wien] error after submitting the job   Mayuresh Mukadam
• [Wien] error message   Saad Omran
• [Wien] error message   Saad Omran
• [Wien] Eigenvalue mix-up - large unit cells   Parker, David S.
• [Wien] (no subject)   Parker, David S.
• [Wien] SOC basic question   Lukasz Plucinski
• [Wien] spin texture?   Yundi Quan
• [Wien] initial spin split   Yundi Quan
• [Wien] k mesh   Yundi Quan
• [Wien] space group   Yundi Quan
• [Wien] DMFT   Yundi Quan
• [Wien] LSDA+U   Yundi Quan
• [Wien] LDA+U   Yundi Quan
• [Wien] LDA+U   Yundi Quan
• [Wien] orbital-projected charge   Yundi Quan
• [Wien] mBJ   Yundi Quan
• [Wien] orbital-projected charge   Yundi Quan
• [Wien] valence charge   Yundi Quan
• [Wien] ERROR: negative position in rstruc. Please report   Yundi Quan
• [Wien] ERROR: negative position in rstruc. Please report   Yundi Quan
• [Wien] presentation of results at a conference   Patricia Abdel Rahim
• [Wien] WARNING: EF not accurate, new emin,emax,NE-min,NE-max   Jinjan Ren
• [Wien] WARNING: EF not accurate, new emin,emax,NE-min,NE-max   Jinjan Ren
• [Wien] zero DOS at fermi level   Jinjan Ren
• [Wien] unit of DOS   Jinjan Ren
• [Wien] unit of DOS   Jinjan Ren
• [Wien] structure file   Jinjan Ren
• [Wien] unit of DOS   Rocquefelte
• [Wien] Elastic constants for Orthorhombic Case (128 atom Supercell)   Ghosh SUDDHASATTWA
• [Wien] Elastic constants for Orthorhombic Case (128 atomSupercell)   Ghosh SUDDHASATTWA
• [Wien] Symmetry operation issue   Ghosh SUDDHASATTWA
• [Wien] Phonon Package!!   Ghosh SUDDHASATTWA
• [Wien] lapwdm   Bin Shao
• [Wien] lapwdm   Bin Shao
• [Wien] lapwdm   Bin Shao
• [Wien] Problem with SO calculations   Irina Shikhman
• [Wien] Problem with SO calculations   Irina Shikhman
• [Wien] oscillator strength   Nirpendra Singh
• [Wien] [SPAM?] Question about different result.   Song, Young Joon
• [Wien] Magnetic order with hybrids and DFT+U   David Tompsett
• [Wien] Need advice for modeling the band gap in a charge transfer insulator   David Tompsett
• [Wien] Symmetry operation issue   Vargheese, Deenamma
• [Wien] Symmetry operation issue   Vargheese, Deenamma
• [Wien] ERROR: negative position in rstruc. Please report   Vargheese, Deenamma
• [Wien] spin texture?   Ruben Weht
• [Wien] A general question about Spin Polarized calculation/materials   Qiwen YAO
• [Wien] A general question about Spin Polarized calculation/materials   Qiwen YAO
• [Wien] bug in DOS input file?   Viktor Zano
• [Wien] bug in DOS input file?   Viktor Zano
• [Wien] calculation of X-ray spectra for a magnetic system with spin-orbit coupling?   Jian-Xin Zhu
• [Wien] A question regarding GGA+U method   shamik chakrabarti
• [Wien] A question regarding GGA+U method   shamik chakrabarti
• [Wien] Need advice for modeling the band gap in a charge transfer insulator   shamik chakrabarti
• [Wien] Need advice for modeling the band gap in a charge transfer insulator   shamik chakrabarti
• [Wien] Fwd: Need advice for modeling the band gap in a charge transfer insulator   shamik chakrabarti
• [Wien] Need advice for modeling the band gap in a charge transfer insulator   shamik chakrabarti
• [Wien] question about transition core-core   grad at famaf.unc.edu.ar
• [Wien] Some Question about Wien2K Package!   ahmad gharleghi
• [Wien] Some Question about Wien2K Package!   ahmad gharleghi
• [Wien] Thank you- there is another question!   ahmad gharleghi
• [Wien] Which computer operating system?   ahmad gharleghi
• [Wien] Thanks a Lot!   ahmad gharleghi
• [Wien] Phonon Package!!   ahmad gharleghi
• [Wien] Phonon Package!!   ahmad gharleghi
• [Wien] spaghetti.def failed   iaki island
• [Wien] spaghetti.def failed   iaki island
• [Wien] A Package for finding elastic constants of orthorhombic symmetry but .....   morteza jamal
• [Wien] [SPAM?] LSDA + U calculation   kangbugy at lycos.co.kr
• [Wien] for inorb file   kangbugy at lycos.co.kr
• [Wien] for inorb file   kangbugy at lycos.co.kr
• [Wien] for inorb file   kangbugy at lycos.co.kr
• [Wien] [SPAM?] LSDA + U calculation   kangbugy at lycos.co.kr
• [Wien] [SPAM?] LSDA + U calculation   kangbugy at lycos.co.kr
• [Wien] Bus error   vielmaj at onid.orst.edu
• [Wien] lapw1 divide by zero error   vielmaj at onid.orst.edu
• [Wien] lapw1 divide by zero error   vielmaj at onid.orst.edu
• [Wien] lapw1 divide by zero error   vielmaj at onid.orst.edu
• [Wien] SOC basic question   pieper
• [Wien] LSDA+U   quanyundi
• [Wien] mBJ   quanyundi
• [Wien] for inorb file   quanyundi
• [Wien] for inorb file   quanyundi
• [Wien] rare earth + Mo system   tripurari sinha
• [Wien] Error in PAIRHESS and Error in LAPW1   sufyan
• [Wien] A question regarding GGA+U method   tran at theochem.tuwien.ac.at
• [Wien] k mesh   tran at theochem.tuwien.ac.at
• [Wien] mBJ   tran at theochem.tuwien.ac.at
• [Wien] for inorb file   tran at theochem.tuwien.ac.at
• [Wien] Problem with SuperCell   vandao at urisan.tche.br
• [Wien] band structure   vandao at urisan.tche.br
• [Wien] Electron density   vandao at urisan.tche.br
• [Wien] electron density   vandao at urisan.tche.br
• [Wien] Problem with electron density   vandao at urisan.tche.br
• [Wien] The symmetry is not recognized by Wien   王静

Last message date: Mon Oct 31 09:59:17 CET 2011
Archived on: Mon Oct 31 10:04:41 CET 2011

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