May 2017 Archives by author

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Starting: Tue May 2 06:40:02 CEST 2017
Ending: Tue May 30 16:55:41 CEST 2017
Messages: 209

• [Wien] Electrostatic potential in the superlattices   Gavin Abo
• [Wien] Restarting HF with SO   Gavin Abo
• [Wien] Restarting HF with SO   Gavin Abo
• [Wien] xy average of electrostatic potential along [001]   Gavin Abo
• [Wien] Energy ordering of the Ni-3d   Gavin Abo
• [Wien] Optical properties of half-metals   Rashid Ahmad
• [Wien] Optical properties of half-metals   Rashid Ahmad
• [Wien] Optical properties of half-metals   Rashid Ahmad
• [Wien] Energy ordering of the Ni-3d   Alex
• [Wien] Energy ordering of the Ni-3d   Alex
• [Wien] Exchange energy   Alex
• [Wien] DOS grid and Gauss broadening   Marcelo Barbosa
• [Wien] optimization for 225 (cubic) space group   Dr. K. C. Bhamu
• [Wien] optimization for 225 (cubic) space group   Dr. K. C. Bhamu
• [Wien] Non-spin ploarized and spin polarized SOC for Gold   Dr. K. C. Bhamu
• [Wien] change of lattice parameters while alloying   Dr. K. C. Bhamu
• [Wien] change of lattice parameters while alloying   Dr. K. C. Bhamu
• [Wien] change of lattice parameters while alloying   Dr. K. C. Bhamu
• [Wien] change of lattice parameters while alloying   Dr. K. C. Bhamu
• [Wien] mBj with PBESOL   Dr. K. C. Bhamu
• [Wien] mBj with PBESOL   Dr. K. C. Bhamu
• [Wien] mBj with PBESOL   Dr. K. C. Bhamu
• [Wien] mBj with PBESOL   Dr. K. C. Bhamu
• [Wien] mBj with PBESOL   Dr. K. C. Bhamu
• [Wien] Problem with MPI   Dr. K. C. Bhamu
• [Wien] overflow on array size calculation   Dr. K. C. Bhamu
• [Wien] Regarding problem in bandstructure plotting   Dr. K. C. Bhamu
• [Wien] insp file of band structure for Zr5Te4   Dr. K. C. Bhamu
• [Wien] FERMI ERROR   Peter Blaha
• [Wien] XC fit for mBJ   Peter Blaha
• [Wien] Non-spin ploarized and spin polarized SOC for Gold   Peter Blaha
• [Wien] Non-spin ploarized and spin polarized SOC for Gold   Peter Blaha
• [Wien] Non-spin ploarized and spin polarized SOC for Gold   Peter Blaha
• [Wien] paramagnetic or diamagnetic   Peter Blaha
• [Wien] paramagnetic or diamagnetic   Peter Blaha
• [Wien] change of lattice parameters while alloying   Peter Blaha
• [Wien] paramagnetic or diamagnetic   Peter Blaha
• [Wien] change of lattice parameters while alloying   Peter Blaha
• [Wien] paramagnetic or diamagnetic   Peter Blaha
• [Wien] paramagnetic or diamagnetic   Peter Blaha
• [Wien] Is it a SPAGHETTI bug?   Peter Blaha
• [Wien] Error with NMR calculation   Peter Blaha
• [Wien] Is it a SPAGHETTI bug?   Peter Blaha
• [Wien] Is it a SPAGHETTI bug?   Peter Blaha
• [Wien] SRC_w2w   Peter Blaha
• [Wien] Error with NMR calculation   Peter Blaha
• [Wien] Fixed spin moment calculation combined with spin scaling xc   Peter Blaha
• [Wien] Fixed spin moment calculation combined with spin scaling xc   Peter Blaha
• [Wien] Problem with MPI   Peter Blaha
• [Wien] hybrids + vdW   Peter Blaha
• [Wien] DOS calculation for GGA+U+SO is still incorrect.   Peter Blaha
• [Wien] wien2k workshop, registration open   Peter Blaha
• [Wien] NMR Calculation for semimetal   Peter Blaha
• [Wien] change of lattice parameters while alloying   Víctor Luaña Cabal
• [Wien] negative fermi energy   Rajneesh Chaurasiya
• [Wien] overflow on array size calculation   Rajneesh Chaurasiya
• [Wien] Effective madd   fatima DFT
• [Wien] Effective mass   fatima DFT
• [Wien] optimization for 225 (cubic) space group   fatima DFT
• [Wien] optimization for 225 (cubic) space group   fatima DFT
• [Wien] could not reproduced Elastic properties for CsCl   fatima DFT
• [Wien] could not reproduced Elastic properties for CsCl   fatima DFT
• [Wien] could not reproduced Elastic properties for CsCl   fatima DFT
• [Wien] could not reproduced Elastic properties for CsCl   fatima DFT
• [Wien] Coult not reproduced results of CoSb3   fatima DFT
• [Wien] Coult not reproduced results of CoSb3   fatima DFT
• [Wien] Coult not reproduced results of CoSb3   fatima DFT
• [Wien] Coult not reproduced results of CoSb3   fatima DFT
• [Wien] Coult not reproduced results of CoSb3   fatima DFT
• [Wien] installation error in lapwso and lapw1   fatima DFT
• [Wien] installation error in lapwso and lapw1   fatima DFT
• [Wien] XC-functional Option 15 in version 16   fatima DFT
• [Wien] Coult not reproduced results of CoSb3   fatima DFT
• [Wien] Coult not reproduced results of CoSb3   fatima DFT
• [Wien] kpoint optimization   fatima DFT
• [Wien] kpoint optimization   fatima DFT
• [Wien] force optimisation for a high symmetry direction   fatima DFT
• [Wien] force optimisation for a high symmetry direction   fatima DFT
• [Wien] convergence problem   fatima DFT
• [Wien] convergence problem   fatima DFT
• [Wien] convergence problem   fatima DFT
• [Wien] Restarting HF with SO   Lyudmila Dobysheva
• [Wien] Regarding problem in bandstructure plotting   Lyudmila Dobysheva
• [Wien] insp file of band structure for Zr5Te4   Lyudmila Dobysheva
• [Wien] Regarding problem in insp file   Lyudmila Dobysheva
• [Wien] Import error, no module named numpy   Jameela Fatheema
• [Wien] could not reproduced Elastic properties for CsCl   Fecher, Gerhard
• [Wien] paramagnetic or diamagnetic   Fecher, Gerhard
• [Wien] could not reproduced Elastic properties for CsCl   Fecher, Gerhard
• [Wien] DOS of slab   Fecher, Gerhard
• [Wien] paramagnetic or diamagnetic   Fecher, Gerhard
• [Wien] paramagnetic or diamagnetic   Fecher, Gerhard
• [Wien] Coult not reproduced results of CoSb3   Fecher, Gerhard
• [Wien] Error with NMR calculation   Fecher, Gerhard
• [Wien] Coult not reproduced results of CoSb3   Fecher, Gerhard
• [Wien] Coult not reproduced results of CoSb3   Fecher, Gerhard
• [Wien] Coult not reproduced results of CoSb3   Fecher, Gerhard
• [Wien] installation error in lapwso and lapw1   Fecher, Gerhard
• [Wien] XC-functional Option 15 in version 16   Fecher, Gerhard
• [Wien] Energy ordering of the Ni-3d   Fecher, Gerhard
• [Wien] Energy ordering of the Ni-3d   Fecher, Gerhard
• [Wien] How to fit birch Murnaghan EOS for the orthorhombic case   Fecher, Gerhard
• [Wien] Understanding the subroutine in SRC_lapw1/RINT13.f   Dara Goldar
• [Wien] BAND GAP USING LB94   Subrata Jana
• [Wien] use xyz in wien2k   Subrata Jana
• [Wien] problem_using_cif_file   Subrata Jana
• [Wien] problem-with-non-local-potentials   Subrata Jana
• [Wien] LB94   Subrata Jana
• [Wien] irrep+soc could not write the parity eigenvalues for some bands in Bi2Se3.   Bramhachari Khamari
• [Wien] XC fit for mBJ   Laurence Marks
• [Wien] XC fit for mBJ   Laurence Marks
• [Wien] DOS of slab   Laurence Marks
• [Wien] negative fermi energy   Laurence Marks
• [Wien] How to monitor a -hf calculation   Laurence Marks
• [Wien] Restarting HF with SO   Laurence Marks
• [Wien] Restarting HF with SO   Laurence Marks
• [Wien] installation error in lapwso and lapw1   Laurence Marks
• [Wien] overflow on array size calculation   Laurence Marks
• [Wien] Coult not reproduced results of CoSb3   Laurence Marks
• [Wien] force optimisation for a high symmetry direction   Laurence Marks
• [Wien] Understanding the subroutine in SRC_lapw1/RINT13.f   Laurence Marks
• [Wien] convergence problem   Laurence Marks
• [Wien] convergence problem   Laurence Marks
• [Wien] convergence problem   Laurence Marks
• [Wien] Terminal strange output when running at different nodes   Laurence Marks
• [Wien] Fixed spin moment calculation combined with spin scaling xc   Niedermayr, Arthur
• [Wien] Fixed spin moment calculation combined with spin scaling xc   Niedermayr, Arthur
• [Wien] Effective madd   Luis Ogando
• [Wien] Effective mass   Luis Ogando
• [Wien] Restarting HF with SO   Luis Ogando
• [Wien] Restarting HF with SO   Luis Ogando
• [Wien] Restarting HF with SO   Luis Ogando
• [Wien] Restarting HF with SO   Luis Ogando
• [Wien] Restarting HF with SO   Luis Ogando
• [Wien] FERMI ERROR   Chukwuemeka Okoye
• [Wien] FERMI ERROR   Chukwuemeka Okoye
• [Wien] Maximum value of RK_max   Chukwuemeka Okoye
• [Wien] Maximum value of RK_max   Chukwuemeka Okoye
• [Wien] paramagnetic or diamagnetic   karima Physique
• [Wien] paramagnetic or diamagnetic   karima Physique
• [Wien] paramagnetic or diamagnetic   karima Physique
• [Wien] paramagnetic or diamagnetic   karima Physique
• [Wien] paramagnetic or diamagnetic   karima Physique
• [Wien] paramagnetic or diamagnetic   karima Physique
• [Wien] Error with NMR calculation   karima Physique
• [Wien] Error with NMR calculation   karima Physique
• [Wien] Error with NMR calculation   karima Physique
• [Wien] Error with NMR calculation   karima Physique
• [Wien] NMR Calculation for semimetal   karima Physique
• [Wien] NMR Calculation for semimetal   karima Physique
• [Wien] hybrids + vdW   Fabiana Da Pieve
• [Wien] hybrids + vdW   Fabiana Da Pieve
• [Wien] hybrids + vdW   Fabiana Da Pieve
• [Wien] PhD opening at McMaster   Oleg Rubel
• [Wien] How to fit birch Murnaghan EOS for the orthorhombic case   BUSHRA SABIR
• [Wien] How to fit birch Murnaghan EOS for the orthorhombic case   BUSHRA SABIR
• [Wien] Electrostatic potential in the superlattices   Subhasis Samanta
• [Wien] xy average of electrostatic potential along [001]   Subhasis Samanta
• [Wien] SRC_w2w   Wien2k User
• [Wien] Problem with MPI   Wien2k User
• [Wien] Problem with MPI   Wien2k User
• [Wien] Problem with MPI   Wien2k User
• [Wien] Problem with MPI   Wien2k User
• [Wien] Optical properties of half-metals   Karel Vyborny
• [Wien] Non-spin ploarized and spin polarized SOC for Gold   Osama Yassin
• [Wien] Non-spin ploarized and spin polarized SOC for Gold   Osama Yassin
• [Wien] Non-spin polarized and spin polarized SOC for Gold   Osama Yassin
• [Wien] Non-spin polarized and spin polarized SOC for Gold   Osama Yassin
• [Wien] Non-spin ploarized and spin polarized SOC for Gold   Osama Yassin
• [Wien] DOS calculation for GGA+U+SO is still incorrect.   Guo-ping Zhang
• [Wien] mBj with PBESOL   delamora
• [Wien] How to fit birch Murnaghan EOS for the orthorhombic case   delamora
• [Wien] How to fit birch Murnaghan EOS for the orthorhombic case   delamora
• [Wien] How to fit birch Murnaghan EOS for the orthorhombic case   delamora
• [Wien] Regarding problem in bandstructure plotting   mandeep hooda
• [Wien] insp file of band structure for Zr5Te4   mandeep hooda
• [Wien] Regarding problem in insp file   mandeep hooda
• [Wien] Lattice Thermal Conductivity and Phonon dispersion   yasir javed
• [Wien] Problem with complication of lapw0   kachigusa
• [Wien] Fixed spin moment calculation combined with spin scaling xc   mazin
• [Wien] DOS of slab   pieper
• [Wien] DOS of slab   pieper
• [Wien] change of lattice parameters while alloying   pieper
• [Wien] paramagnetic or diamagnetic   pieper
• [Wien] Import error, no module named numpy   pieper
• [Wien] problem_using_cif_file   afiq radzwan
• [Wien] XC-functional Option 15 in version 16   afiq radzwan
• [Wien] BAND GAP USING LB94   tran at theochem.tuwien.ac.at
• [Wien] Problem with complication of lapw0   tran at theochem.tuwien.ac.at
• [Wien] XC fit for mBJ   tran at theochem.tuwien.ac.at
• [Wien] Maximum value of RK_max   tran at theochem.tuwien.ac.at
• [Wien] Non-spin polarized and spin polarized SOC for Gold   tran at theochem.tuwien.ac.at
• [Wien] optimization for 225 (cubic) space group   tran at theochem.tuwien.ac.at
• [Wien] mBj with PBESOL   tran at theochem.tuwien.ac.at
• [Wien] mBj with PBESOL   tran at theochem.tuwien.ac.at
• [Wien] mBj with PBESOL   tran at theochem.tuwien.ac.at
• [Wien] mBj with PBESOL   tran at theochem.tuwien.ac.at
• [Wien] problem-with-non-local-potentials   tran at theochem.tuwien.ac.at
• [Wien] hybrids + vdW   tran at theochem.tuwien.ac.at
• [Wien] LB94   tran at theochem.tuwien.ac.at
• [Wien] Restarting HF with SO   tran at theochem.tuwien.ac.at
• [Wien] XC-functional Option 15 in version 16   tran at theochem.tuwien.ac.at
• [Wien] kpoint optimization   tran at theochem.tuwien.ac.at
• [Wien] kpoint optimization   tran at theochem.tuwien.ac.at
• [Wien] Terminal strange output when running at different nodes   tran at theochem.tuwien.ac.at
• [Wien] 自動応答: Naohiko Kawasaki は外出しています (戻る日: 2017/05/22)   Naohiko_Kawasaki at trc.toray.co.jp
• [Wien] Is it a SPAGHETTI bug?   Kefeng wang
• [Wien] Is it a SPAGHETTI bug?   Kefeng wang
• [Wien] Terminal strange output when running at different nodes   tong wei

Last message date: Tue May 30 16:55:41 CEST 2017
Archived on: Tue May 30 16:55:49 CEST 2017

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