November 2017 Archives by subject

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Starting: Wed Nov 1 05:19:20 CET 2017
Ending: Thu Nov 30 23:59:29 CET 2017
Messages: 178

• [Wien] (rotation+translation matrix)   Jaafar Jalilian
• [Wien] (rotation+translation matrix)   Peter Blaha
• [Wien] 4f Hubbard term   karima Physique
• [Wien] 4f Hubbard term   Laurence Marks
• [Wien] 4f Hubbard term   karima Physique
• [Wien] 4f Hubbard term   Laurence Marks
• [Wien] 4f Hubbard term   karima Physique
• [Wien] :WARN : WARNING: RKmax reduced due to NMATMAX   chin Sabsu
• [Wien] :WARN : WARNING: RKmax reduced due to NMATMAX   Lyudmila Dobysheva
• [Wien] :WARN : WARNING: RKmax reduced due to NMATMAX   chin Sabsu
• [Wien] :WARN : WARNING: RKmax reduced due to NMATMAX   chin Sabsu
• [Wien] :WARN : WARNING: RKmax reduced due to NMATMAX   Lyudmila Dobysheva
• [Wien] :WARN : WARNING: RKmax reduced due to NMATMAX   Gavin Abo
• [Wien] :WARN : WARNING: RKmax reduced due to NMATMAX   chin Sabsu
• [Wien] :WARN : WARNING: RKmax reduced due to NMATMAX   chin Sabsu
• [Wien] :WARN : WARNING: RKmax reduced due to NMATMAX   Gavin Abo
• [Wien] :WARN : WARNING: RKmax reduced due to NMATMAX   chin Sabsu
• [Wien] :WARN : WARNING: RKmax reduced due to NMATMAX   Laurence Marks
• [Wien] :WARN : WARNING: RKmax reduced due to NMATMAX   chin Sabsu
• [Wien] :WARN : WARNING: RKmax reduced due to NMATMAX   M abbas
• [Wien] :WARN : WARNING: RKmax reduced due to NMATMAX   chin Sabsu
• [Wien] :WARN : WARNING: RKmax reduced due to NMATMAX   Gavin Abo
• [Wien] A problem with band structure calculations: lapw1c   Osama Yassin
• [Wien] A problem with band structure calculations: lapw1c   Gavin Abo
• [Wien] A problem with band structure calculations: lapw1c   Osama Yassin
• [Wien] band gap range too large   Dr. K. C. Bhamu
• [Wien] Calculations of Slater parameters (or Slater integrals) for open-shell (3d or 4f) ions   YEUNG, Yau Yuen [SES]
• [Wien] Calculations of Slater parameters (or Slater integrals) for open-shell (3d or 4f) ions   Fecher, Gerhard
• [Wien] Calculations of Slater parameters (or Slater integrals) for open-shell (3d or 4f) ions   Peter Blaha
• [Wien] Calculations of Slater parameters (or Slater integrals) for open-shell (3d or 4f) ions   YEUNG, Yau Yuen [SES]
• [Wien] Calculations of Slater parameters (or Slater integrals) for open-shell (3d or 4f) ions   YEUNG, Yau Yuen [SES]
• [Wien] Calculations of Slater parameters (or Slater integrals) for open-shell (3d or 4f) ions   Peter Blaha
• [Wien] charged and neutral cell   chin Sabsu
• [Wien] charged and neutral cell   pieper
• [Wien] charged and neutral cell   chin Sabsu
• [Wien] Diamond optimized   delamora
• [Wien] Diamond optimized   delamora
• [Wien] Diamond optimized   tran at theochem.tuwien.ac.at
• [Wien] Diamond optimized   delamora
• [Wien] Diamond optimized   Peter Blaha
• [Wien] Diamond optimized   delamora
• [Wien] different MLD for bcc structure for magnetic equivalent directions M001, M010 and M100   Jaroslav Hamrle
• [Wien] different MLD for bcc structure for magnetic equivalent directions M001, M010 and M100   Fecher, Gerhard
• [Wien] different MLD for bcc structure for magnetic equivalent directions M001, M010 and M100   Jaroslav Hamrle
• [Wien] different MLD for bcc structure for magnetic equivalent directions M001, M010 and M100   Fecher, Gerhard
• [Wien] different MLD for bcc structure for magnetic equivalent directions M001, M010 and M100   Karel Vyborny
• [Wien] different MLD for bcc structure for magnetic equivalent directions M001, M010 and M100   Laurence Marks
• [Wien] different MLD for bcc structure for magnetic equivalent directions M001, M010 and M100   Jaroslav Hamrle
• [Wien] different MLD for bcc structure for magnetic equivalent directions M001, M010 and M100   Laurence Marks
• [Wien] different MLD for bcc structure for magnetic equivalent directions M001, M010 and M100   Jaroslav Hamrle
• [Wien] different MLD for bcc structure for magnetic equivalent directions M001, M010 and M100   Laurence Marks
• [Wien] different MLD for bcc structure for magnetic equivalent directions M001, M010 and M100   Laurence Marks
• [Wien] different MLD for bcc structure for magnetic equivalent directions M001, M010 and M100   Laurence Marks
• [Wien] different MLD for bcc structure for magnetic equivalent directions M001, M010 and M100   Peter Blaha
• [Wien] different MLD for bcc structure for magnetic equivalent directions M001, M010 and M100   Laurence Marks
• [Wien] Effective mass calculation   Marcelo Barbosa
• [Wien] Effective mass calculation   Gavin Abo
• [Wien] Energies of a 4f   karima Physique
• [Wien] Energies of a 4f   Laurence Marks
• [Wien] Energies of a 4f   karima Physique
• [Wien] error in dstart   Sri Muralikrishna Molli, Physics, SSSIHL
• [Wien] error in dstart   Gavin Abo
• [Wien] Error while executing "x wplot -wf 1" command for wannier functions for GaAs   pachineela rambabu
• [Wien] Forrtl error in x lapw -band for TiC example   Sergio Castillo Robles
• [Wien] Fwd: Re: MPI stuck at lapw0   Peter Blaha
• [Wien] Generating struct from space group and coordinates   Md. Fhokrul Islam
• [Wien] Generating struct from space group and coordinates   Gavin Abo
• [Wien] Generating struct from space group and coordinates   delamora
• [Wien] Generating struct from space group and coordinates   Md. Fhokrul Islam
• [Wien] Generating struct from space group and coordinates   Md. Fhokrul Islam
• [Wien] Generating struct from space group and coordinates   Gavin Abo
• [Wien] HDLO and LVNS   delamora
• [Wien] HDLO and LVNS   Gavin Abo
• [Wien] HDLO and LVNS   delamora
• [Wien] HDLO and LVNS   pieper
• [Wien] how to extact...Parabolfit needs small change   Lyudmila
• [Wien] how to extact...Parabolfit needs small change   Lyudmila
• [Wien] how to extact...Parabolfit needs small change   Peter Blaha
• [Wien] how to extact...Parabolfit needs small change   Peter Blaha
• [Wien] how to extact lattice parameters from optimised lattice parameters   chin Sabsu
• [Wien] how to extact lattice parameters from optimised lattice parameters   chin Sabsu
• [Wien] how to extact lattice parameters from optimised lattice parameters   Lyudmila
• [Wien] IFFT-parameters and Ef in in1   chin Sabsu
• [Wien] IFFT-parameters and Ef in in1   Peter Blaha
• [Wien] Intel compilers and MPI versions   Luis Ogando
• [Wien] Intel compilers and MPI versions   delamora
• [Wien] Intel compilers and MPI versions   Luis Ogando
• [Wien] Intel compilers and MPI versions   Gavin Abo
• [Wien] Intel compilers and MPI versions   Luis Ogando
• [Wien] LAPW2: semicore band-ranges too large [QTL-B] error   Dr. K. C. Bhamu
• [Wien] LAPW2: semicore band-ranges too large [QTL-B] error   Peter Blaha
• [Wien] LAPW2: semicore band-ranges too large [QTL-B] error   Dr. K. C. Bhamu
• [Wien] Large cell instgen_lapw : word too long   Chouaib AHMANI FERDI
• [Wien] Large cell instgen_lapw : word too long   Laurence Marks
• [Wien] Large cell instgen_lapw : word too long   Chouaib AHMANI FERDI
• [Wien] Large cell instgen_lapw : word too long   Laurence Marks
• [Wien] Large cell instgen_lapw : word too long   Chouaib AHMANI FERDI
• [Wien] Large cell instgen_lapw : word too long   Gavin Abo
• [Wien] Large cell instgen_lapw : word too long   Peter Blaha
• [Wien] Large cell instgen_lapw : word too long   Chouaib AHMANI FERDI
• [Wien] Large cell instgen_lapw : word too long   Chouaib AHMANI FERDI
• [Wien] Large cell instgen_lapw : word too long   Laurence Marks
• [Wien] Large cell instgen_lapw : word too long   Chouaib AHMANI FERDI
• [Wien] Large cell instgen_lapw : word too long   Gavin Abo
• [Wien] Large cell instgen_lapw : word too long   Chouaib AHMANI FERDI
• [Wien] MAE calculation-lack of the same symmetry like crystal structure.   Jin Cao
• [Wien] MAE calculation-lack of the same symmetry like crystal structure.   Peter Blaha
• [Wien] modify .machines file and resume SCF cycle   Chouaib AHMANI FERDI
• [Wien] modify .machines file and resume SCF cycle   Stefaan Cottenier
• [Wien] new SG, increased k-points and simultaneous calculations in elastic package   fatima DFT
• [Wien] new SG, increased k-points and simultaneous calculations in elastic package   fatima DFT
• [Wien] new SG, increased k-points and simultaneous calculations in elastic package   Abderrahmane Reggad
• [Wien] new SG, increased k-points and simultaneous calculations in elastic package (results do not match)   fatima DFT
• [Wien] new SG, increased k-points and simultaneous calculations in elastic package (results do not match)   Lyudmila Dobysheva
• [Wien] new SG, increased k-points and simultaneous calculations in elastic package (results do not match)   fatima DFT
• [Wien] Number of charge concentration in the system   halim said
• [Wien] Number of charge concentration in the system   pieper
• [Wien] Number of charge concentration in the system   halim said
• [Wien] Number of charge concentration in the system   pieper
• [Wien] O2 molecule continue (rmt issue)   chin Sabsu
• [Wien] O2 molecule continue (rmt issue)   Peter Blaha
• [Wien] O2 molecule continue (rmt issue)   Peter Blaha
• [Wien] O2 molecule continue (rmt issue)   chin Sabsu
• [Wien] O2 molecule continue (rmt issue)   Peter Blaha
• [Wien] O2 molecule continue (rmt issue)   Laurence Marks
• [Wien] O2 molecule continue (rmt issue)   chin Sabsu
• [Wien] O2 molecule continue (rmt issue)   SM Alay-e-Abbas
• [Wien] O2 molecule continue (rmt issue)   Peter Blaha
• [Wien] O2 molecule continue (rmt issue)   Laurence Marks
• [Wien] O2 molecule continue (rmt issue)   Laurence Marks
• [Wien] open shell case [Si and Ge]   chin Sabsu
• [Wien] open shell case [Si and Ge]   Gavin Abo
• [Wien] open shell case [Si and Ge]   Stefaan Cottenier
• [Wien] open shell case [Si and Ge]   Peter Blaha
• [Wien] open shell case [Si and Ge]   Fecher, Gerhard
• [Wien] open shell case [Si and Ge]   Stefaan Cottenier
• [Wien] open shell case [Si and Ge]   chin Sabsu
• [Wien] open shell case [Si and Ge]   chin Sabsu
• [Wien] open shell case [Si and Ge]   Gavin Abo
• [Wien] open shell case [Si and Ge]   Peter Blaha
• [Wien] open shell case [Si and Ge]   chin Sabsu
• [Wien] qtlb erro of Ba   chin Sabsu
• [Wien] qtlb erro of Ba   Peter Blaha
• [Wien] qtlb erro of Ba   Laurence Marks
• [Wien] QTL WARN differ between lapw2 and lapw2 -qtl   Jichao Chang
• [Wien] QTL WARN differ between lapw2 and lapw2 -qtl   Peter Blaha
• [Wien] QTL WARN differ between lapw2 and lapw2 -qtl   Peter Blaha
• [Wien] Question Regarding NMR Calculations and Nuclear quadrupole coupling Constant   sandeep Kumar
• [Wien] Question Regarding NMR Calculations and Nuclear quadrupole coupling Constant   Peter Blaha
• [Wien] Question Regarding NMR Calculations and Nuclear quadrupole coupling Constant   pieper
• [Wien] Question Regarding NMR Calculations and Nuclear quadrupole coupling Constant   sandeep Kumar
• [Wien] Regarding Time reduce in the scf cycle   AJAY SINGH VERMA
• [Wien] Regarding Time reduce in the scf cycle   Lyudmila Dobysheva
• [Wien] Regarding Time reduce in the scf cycle   Lyudmila Dobysheva
• [Wien] structure of oxygen molecule   chin Sabsu
• [Wien] structure of oxygen molecule   Peter Blaha
• [Wien] structure of oxygen molecule   Peter Blaha
• [Wien] Ueff   karima Physique
• [Wien] Ueff   karima Physique
• [Wien] Ueff   pieper
• [Wien] Ueff   karima Physique
• [Wien] Use only gamma sampling   Chouaib AHMANI FERDI
• [Wien] Use only gamma sampling   Gavin Abo
• [Wien] Warning during NMR Calculations   sandeep Kumar
• [Wien] WARNING During SCF Calculations   sandeep Kumar
• [Wien] WARNING During SCF Calculations   Peter Blaha
• [Wien] WARNING During SCF Calculations   sandeep Kumar
• [Wien] WARNING During SCF Calculations   Gavin Abo
• [Wien] WARNING During SCF Calculations   sandeep Kumar
• [Wien] WARNING During SCF Calculations   Gavin Abo
• [Wien] WARNING During SCF Calculations (Peter Blaha)   sandeep Kumar
• [Wien] warning k list has changed   sandeep arora
• [Wien] warning show during scf cycle. (WARNING: VX .gt. +1.0)   AJAY SINGH VERMA
• [Wien] warning show during scf cycle. (WARNING: VX .gt. +1.0)   Peter Blaha
• [Wien] write_win error   karima Physique
• [Wien] write_win error   Gavin Abo
• [Wien] write_win error   karima Physique
• [Wien] XCPOT3 - Error   chin Sabsu

Last message date: Thu Nov 30 23:59:29 CET 2017
Archived on: Thu Nov 30 23:59:41 CET 2017

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