September 2013 Archives by author

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Starting: Sun Sep 1 09:39:15 CEST 2013
Ending: Mon Sep 30 23:01:25 CEST 2013
Messages: 174

[Wien] Segmentation fault in lapw0 -eece Gavin Abo
[Wien] SIGSEGV, segmentation fault Gavin Abo
[Wien] Regarding band structure Gavin Abo
[Wien] Regarding Space group Gavin Abo
[Wien] Wien2Wannier with spin-orbit coupling Kyohn Ahn
[Wien] Occupation matrix in SOC calculations Kyohn Ahn
[Wien] Occupation matrix in SOC calculations Kyohn Ahn
[Wien] re-initialization issue with mBJ on reducing RMT Ushma Ahuja
[Wien] Regarding band structure Yasir Ali
[Wien] Reg: wannier Elias Assmann
[Wien] Reg: wannier Elias Assmann
[Wien] to change an atom in the unit cell Elias Assmann
[Wien] to change an atom in the unit cell Elias Assmann
[Wien] symmetso warns "operation was not found in struct" Elias Assmann
[Wien] GGA+U Saleem Ayaz
[Wien] time relaxation in boltztrap Saleem Ayaz
[Wien] Fatband calculation using relativistic basis Santu Baidya
[Wien] Fatband calculation using relativistic basis Santu Baidya
[Wien] Fatband calculation using relativistic basis Santu Baidya
[Wien] Fatband calculation using relativistic basis Santu Baidya
[Wien] Fatband calculation using relativistic basis Santu Baidya
[Wien] Fatband calculation using relativistic basis Santu Baidya
[Wien] total energy Peter Blaha
[Wien] Re : need clarification on changes in spin magnetic moment in cell after SCF run Peter Blaha
[Wien] Segmentation fault in lapw0 -eece Peter Blaha
[Wien] Segmentation fault in lapw0 -eece Peter Blaha
[Wien] LOPW: plane wave exhausted error Peter Blaha
[Wien] NMR error message Peter Blaha
[Wien] Regarding band structure Peter Blaha
[Wien] Regarding band structure Peter Blaha
[Wien] Intel(R) Xeon Phi™ coprocessor Peter Blaha
[Wien] Intel(R) Xeon Phi™ coprocessor Peter Blaha
[Wien] Intel(R) Xeon Phi™ coprocessor Peter Blaha
[Wien] Intel(R) Xeon Phi™ coprocessor Peter Blaha
[Wien] L -4 Peter Blaha
[Wien] Fatband calculation using relativistic basis Peter Blaha
[Wien] 1) ENE warning during SCF loop for core-hole calculation and 2) temperature effects Peter Blaha
[Wien] Charged cell Peter Blaha
[Wien] A basic question regarding structure optimization Peter Blaha
[Wien] Regarding Occupency Peter Blaha
[Wien] A basic question regarding structure optimization Peter Blaha
[Wien] Occupation matrix in SOC calculations Peter Blaha
[Wien] Fatband calculation using relativistic basis Peter Blaha
[Wien] Magnetic anisotropy energy Peter Blaha
[Wien] Fatband calculation using relativistic basis Peter Blaha
[Wien] Magnetic anisotropy energy Peter Blaha
[Wien] Fatband calculation using relativistic basis Peter Blaha
[Wien] SCF convergence Peter Blaha
[Wien] How can i perform open core calculations? Stefaan Cottenier
[Wien] an error from lapw1 I cannot get rid of (whatever I do !) Stefaan Cottenier
[Wien] Finding the best Rmt*Kmax and kmesh Stefaan Cottenier
[Wien] Why is the case.inorb file required for use in hybrid functionals Joshua Davis
[Wien] Regarding band structure Lyudmila Dobysheva
[Wien] Regarding band structure Lyudmila Dobysheva
[Wien] Re : need clarification on changes in spin magnetic moment in cell after SCF run Fecher, Gerhard
[Wien] (no subject) Fecher, Gerhard
[Wien] Magnetic anisotropy energy Madhav Ghimire
[Wien] Magnetic anisotropy energy Madhav Ghimire
[Wien] Error in mBJGGA Saeid Jalali
[Wien] compiling errors Saeid Jalali
[Wien] Charged cell Kamil Klier
[Wien] monoclinic optimization Pradeep Kumar
[Wien] Fatband calculation using relativistic basis Kim Kyoo
[Wien] gap with hybrid functional abdel Mar..
[Wien] (no subject) Laurence Marks
[Wien] About mBJ convergence Laurence Marks
[Wien] About mBJ convergence Laurence Marks
[Wien] magnetic mixing parameter Laurence Marks
[Wien] Number of memories in MSR1a for big calculations Laurence Marks
[Wien] Intel(R) Xeon Phi™ coprocessor Laurence Marks
[Wien] Intel(R) Xeon Phi™ coprocessor Laurence Marks
[Wien] Intel(R) Xeon Phi™ coprocessor Laurence Marks
[Wien] an error from lapw1 I cannot get rid of (whatever I do !) Laurence Marks
[Wien] an error from lapw1 I cannot get rid of (whatever I do !) Laurence Marks
[Wien] an error from lapw1 I cannot get rid of (whatever I do !) Laurence Marks
[Wien] restarting the TB-mBJ with a bigger mixing to speed up calculations Laurence Marks
[Wien] MSR1a: mixer.error ('MIXER' - No feasible step small enough, check RMT and model) Laurence Marks
[Wien] SCF convergence Laurence Marks
[Wien] compiling errors Farshad Nejadsattari
[Wien] Intel(R) Xeon Phi™ coprocessor Luis Ogando
[Wien] Intel(R) Xeon Phi™ coprocessor Luis Ogando
[Wien] Intel(R) Xeon Phi™ coprocessor Luis Ogando
[Wien] SCF convergence Luis Ogando
[Wien] SCF convergence Luis Ogando
[Wien] SCF convergence Luis Ogando
[Wien] an error from lapw1 I cannot get rid of (whatever I do !) Fabiana Da Pieve
[Wien] an error from lapw1 I cannot get rid of (whatever I do !) Fabiana Da Pieve
[Wien] an error from lapw1 I cannot get rid of (whatever I do !) Fabiana Da Pieve
[Wien] restarting the TB-mBJ with a bigger mixing to speed up calculations Fabiana Da Pieve
[Wien] restarting the TB-mBJ with a bigger mixing to speed up calculations Fabiana Da Pieve
[Wien] restarting the TB-mBJ with a bigger mixing to speed up calculations Fabiana Da Pieve
[Wien] restarting the TB-mBJ with a bigger mixing to speed up calculations Fabiana Da Pieve
[Wien] (no subject) DibyaR Prakash
[Wien] (no subject) DibyaR Prakash
[Wien] Reg: wannier Swetarekha Ram
[Wien] Reg: wannier Swetarekha Ram
[Wien] Reg: wannier Swetarekha Ram
[Wien] parity using x irrep Jan Richter
[Wien] optic sum rules Rocquefelte
[Wien] total energy Oleg Rubel
[Wien] (no subject) Oleg Rubel
[Wien] Regarding band structure Oleg Rubel
[Wien] Regarding band structure Oleg Rubel
[Wien] All calculations are stopped due to stop error Oleg Rubel
[Wien] All calculations are stopped due to stop error Oleg Rubel
[Wien] L -4 John Rundgren
[Wien] Error in mBJGGA Muhammad Sajjad
[Wien] Error in mBJGGA Muhammad Sajjad
[Wien] Error in mBJGGA Muhammad Sajjad
[Wien] About mBJ convergence Muhammad Sajjad
[Wien] About mBJ convergence Muhammad Sajjad
[Wien] About mBJ convergence Muhammad Sajjad
[Wien] About mBJ convergence Muhammad Sajjad
[Wien] Regarding Occupency Kondaiah Samudrala
[Wien] How can i perform open core calculations? Muhammad Shafiq
[Wien] LOPW: plane wave exhausted error Om Prakash Shukla
[Wien] mbj probem gap Amine Slassi
[Wien] mbj probem gap Amine Slassi
[Wien] (no subject) Michael Sluydts
[Wien] Intel(R) Xeon Phi™ coprocessor Michael Sluydts
[Wien] Intel(R) Xeon Phi™ coprocessor Michael Sluydts
[Wien] mbj probem gap Michael Sluydts
[Wien] mbj probem gap Michael Sluydts
[Wien] to change an atom in the unit cell AJAY SINGH VERMA
[Wien] to change an atom in the unit cell AJAY SINGH VERMA
[Wien] Need guidance Zaid
[Wien] NMR error message Bing Zhou
[Wien] (no subject) sikandar azam
[Wien] (no subject) sikandar azam
[Wien] Regarding band structure sikandar azam
[Wien] Regarding band structure sikandar azam
[Wien] Regarding band structure sikandar azam
[Wien] Regarding band structure sikandar azam
[Wien] Regarding band structure sikandar azam
[Wien] Regarding band structure sikandar azam
[Wien] Regarding Space group sikandar azam
[Wien] A basic question regarding structure optimization shamik chakrabarti
[Wien] A basic question regarding structure optimization shamik chakrabarti
[Wien] A basic question regarding structure optimization shamik chakrabarti
[Wien] Re : need clarification on changes in spin magnetic moment in cell after SCF run venkatesh chandragiri
[Wien] need help in understanding the case.instrans file in Botlztrap code venkatesh chandragiri
[Wien] All calculations are stopped due to stop error venkatesh chandragiri
[Wien] All calculations are stopped due to stop error venkatesh chandragiri
[Wien] optic sum rules ali ghafari
[Wien] SIGSEGV, segmentation fault saurabh samant
[Wien] Finding the best Rmt*Kmax and kmesh saurabh samant
[Wien] Finding the best Rmt*Kmax and kmesh saurabh samant
[Wien] total energy njudyp at sina.com
[Wien] magnetic mixing parameter njudyp at sina.com
[Wien] Regarding band structure foyevtsova at th.physik.uni-frankfurt.de
[Wien] Parallel execution of hybrid functional calculation tran at theochem.tuwien.ac.at
[Wien] Parallel execution of hybrid functional calculation tran at theochem.tuwien.ac.at
[Wien] Error in mBJGGA tran at theochem.tuwien.ac.at
[Wien] Why is the case.inorb file required for use in hybrid functionals tran at theochem.tuwien.ac.at
[Wien] L -4 tran at theochem.tuwien.ac.at
[Wien] L -4 tran at theochem.tuwien.ac.at
[Wien] GGA+U tran at theochem.tuwien.ac.at
[Wien] restarting the TB-mBJ with a bigger mixing to speed up calculations tran at theochem.tuwien.ac.at
[Wien] restarting the TB-mBJ with a bigger mixing to speed up calculations tran at theochem.tuwien.ac.at
[Wien] gap with hybrid functional tran at theochem.tuwien.ac.at
[Wien] gap with hybrid functional tran at theochem.tuwien.ac.at
[Wien] re-initialization issue with mBJ on reducing RMT tran at theochem.tuwien.ac.at
[Wien] 1) ENE warning during SCF loop for core-hole calculation and 2) temperature effects van der Veen, Renske
[Wien] About mBJ convergence okoyecmi at yahoo.com
[Wien] to change an atom in the unit cell okoyecmi at yahoo.com
[Wien] Parallel execution of hybrid functional calculation 西村真一
[Wien] Parallel execution of hybrid functional calculation 西村真一
[Wien] Parallel execution of hybrid functional calculation 西村真一
[Wien] Segmentation fault in lapw0 -eece 西村真一
[Wien] Segmentation fault in lapw0 -eece 西村真一
[Wien] Segmentation fault in lapw0 -eece 西村真一
[Wien] Segmentation fault in lapw0 -eece 西村真一
[Wien] gap with hybrid functional 西村真一
[Wien] gap with hybrid functional 西村真一

Last message date: Mon Sep 30 23:01:25 CEST 2013
Archived on: Mon Sep 30 23:01:27 CEST 2013

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