June 2007 Archives by date

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Starting: Fri Jun 1 10:49:22 CEST 2007
Ending: Sat Jun 30 09:40:58 CEST 2007
Messages: 142

• [Wien] from struct to cif files   Souraya GOUMRI-SAID
• [Wien] w2web -> cluster   Florent Boucher
• [Wien] band gap with PBE-GGA   U P Verma
• [Wien] Questions about LDA+U calculations   Hong Jiang
• [Wien] Questions about LDA+U calculations   Stefaan Cottenier
• [Wien] from struct to cif files   Laurence Marks
• [Wien] from struct to cif files   Florent Boucher
• [Wien] band gap with PBE-GGA   Stefaan Cottenier
• [Wien] band gap with PBE-GGA   Udai Pratap Verma
• [Wien] RMT   Igor Djerdj
• [Wien] allocate error   yxl at email.jlu.edu.cn
• [Wien] RMT   Rashid Ahmed
• [Wien] sp3 hybridization(Wien2k)   Udai Pratap Verma
• [Wien] E/V problem with gamma-Ce   fa kh
• [Wien] sp3 hybridization(Wien2k)   Stefaan Cottenier
• [Wien] E/V problem with gamma-Ce   Laurence Marks
• [Wien] allocate error   Peter Blaha
• [Wien] RMT   Peter Blaha
• [Wien] error in lapw0   Igor Djerdj
• [Wien] 'DSTART' error   U P Verma
• [Wien] error in lapw0   Peter Blaha
• [Wien] error in lapw0   Igor Djerdj
• [Wien] error in lapw0   Peter Blaha
• [Wien] Splitting of energy (InN)   U P Verma
• [Wien] Convergence in AFM calculation   NAJMEH SOLTANI
• [Wien] Convergence in AFM calculation   Stefaan Cottenier
• [Wien] Convergence in AFM calculation   Lyudmila Dobysheva
• [Wien] Question to band gap calculations of PBE-GGA and EV-GGA   Joey Davis
• [Wien] Question to band gap calculations of PBE-GGA and EV-GGA   Joey Davis
• [Wien] The PBE- and EV-GGA show the different maximum in the highest valence band   Joey Davis
• [Wien] Number of iteration (InN)   U P Verma
• [Wien] Occupation number   胡志辉
• [Wien] "Segmentation fault" in lapw2 program   cesar
• [Wien] Occupation number   Lyudmila Dobysheva
• [Wien] Fwd: Calculating the U   georg at chem.au.dk
• [Wien] "Segmentation fault" in lapw2 program   Laurence Marks
• [Wien] Occupation number   huzhihui
• [Wien] Fwd: Calculating the U   Chandrika
• [Wien] Occupation number   Peter Blaha
• [Wien] band gap   Igor Djerdj
• [Wien] "Segmentation fault" in lapw2 program   Gerhard Fecher
• [Wien] Fluorite structure   U P Verma
• [Wien] band gap   Peter Blaha
• [Wien] runsp_c_lapw, how it work?   kongshi
• [Wien] lapwdmc error   swarup saha
• [Wien] Fluorite structure   Michael Fischer
• [Wien] runsp_c_lapw, how it work?   Peter Blaha
• [Wien] lapwdmc error   Peter Blaha
• [Wien] lapwdmc error   swarup saha
• [Wien] from struct to cif files   Souraya GOUMRI-SAID
• [Wien] Calculation of Properties in Complex Case   Konstantin Nefedev
• [Wien] Calculation of Properties in Complex Case   Ricardo Faccio
• [Wien] Calculation of Properties in Complex Case   Peter Blaha
• [Wien] Linux comands for costruction of struct file   Konstantin Nefedev
• [Wien] telnes2 bug   Peter Blaha
• [Wien] telnes2 bug   Florent Boucher
• [Wien] telnes2 bug   David Holec
• [Wien] grep: processes: no such file or directory   sudhir kumar
• [Wien] "Segmentation fault" in lapw2 program   cesar
• [Wien] "Segmentation fault" in lapw2 program   Laurence Marks
• [Wien] "Segmentation fault" in lapw2 program   cesar
• [Wien] jatom=nat+1   Saeid Jalali
• [Wien] "Segmentation fault" in lapw2 program   Laurence Marks
• [Wien] about eosfit   Y.Q. Wang
• [Wien] Energy differences - Transition temperature   Michael Fischer
• [Wien] "Segmentation fault" in lapw2 program   Gerhard Fecher
• [Wien] Can we compare the energies of cases calculated with different versions   yxl at email.jlu.edu.cn
• [Wien] case.inM is empty for minimization in Wien2k-07.2   hossien rahnama
• [Wien] case.inM is empty for minimization in Wien2k-07.2   Laurence Marks
• [Wien] Problem when running LSDA + U   swarup saha
• [Wien] Problem when running LSDA + U   Ricardo Faccio
• [Wien] telnes2 bug   Jorissen Kevin
• [Wien] Fwd: Problem when running LSDA + U   swarup saha
• [Wien] Same problem when running LSDA + U   swarup saha
• [Wien] jatom=nat+1   Peter Blaha
• [Wien] Problem when running LSDA + U   Souraya GOUMRI-SAID
• [Wien] More Bands   Robertson Burgess
• [Wien] Fwd: Problem when running LSDA + U   swarup saha
• [Wien] Fwd: Problem when running LSDA + U   Stefaan Cottenier
• [Wien] More Bands   Peter Blaha
• [Wien] Can we compare the energies of cases calculated with different versions   Peter Blaha
• [Wien] strange band structure   Y.Q. Wang
• [Wien] The atom charge   lu wei
• [Wien] an error occured when running AIM (SURF)   lu wei
• [Wien] Fwd: Fwd: Problem when running LSDA + U   swarup saha
• [Wien] Problem when running LSDA + U   Souraya GOUMRI-SAID
• [Wien] Fwd: Problem when running LSDA + U   swarup saha
• [Wien] Fwd: Problem when running LSDA + U   Stefaan Cottenier
• [Wien] an error occured when running AIM (SURF)   Laurence Marks
• [Wien] The atom charge   Laurence Marks
• [Wien] case.vectorso (up/dn)   Konstantin Nefedev
• [Wien] radial derivative of core electron wave functions in lcore?   Jorissen Kevin
• [Wien] EFERMI OUT OF ENERGY RANGE ERROR   Roberto Iglesias
• [Wien] case.vectorso (up/dn)   Stefaan Cottenier
• [Wien] case.inM is empty for minimization in Wien2k-07.2   hossien rahnama
• [Wien] case.inM is empty for minimization in Wien2k-07.2   Laurence Marks
• [Wien] case.vectorso (up/dn)   Konstantin Nefedev
• [Wien] case.vectorso (up/dn)   Stefaan Cottenier
• [Wien] case.vectorso (up/dn)   Konstantin Nefedev
• [Wien] radial derivative of core electron wave functions in lcore?   Peter Blaha
• [Wien] radial derivative of core electron wave functions in lcore?   Laurence Marks
• [Wien] Stuck in LAPW2 after increasing the number of k-points   jadhikari at clarku.edu
• [Wien] Stuck in LAPW2 after increasing the number of k-points   Peter Blaha
• [Wien] execute "x spaghetti -so" error occured   Mary White
• No subject  
• No subject  
• No subject  
• [Wien] execute "x spaghetti -so" error occured   Peter Blaha
• [Wien] spaghetti error   Mary White
• [Wien] [Fwd: Re: Stuck in LAPW2 after increasing the number of k-points]   jadhikari at clarku.edu
• [Wien] 您好，请教一个wien2k的问题   3996025
• [Wien] [SPAM?] 王老师，您好，请教您一个wien2k的问题   3996025
• [Wien] about magnetic moment in SCF   白宇
• [Wien] about magnetic moment in SCF   Ricardo Faccio
• [Wien] Input/Output Error 153: Input file ended   João Carlos Krause
• [Wien] so+orb   Pablo de la Mora
• [Wien] Input/Output Error 153: Input file ended   Peter Blaha
• [Wien] telnes2 bug   Jorissen Kevin
• [Wien] problem of wien2k parallel   ustclhm
• [Wien] problem of wien2k parallel   Peter Blaha
• [Wien] telnes2 bug   David Holec
• [Wien] telnes2 bug   Jorissen Kevin
• [Wien] lapwdm with ROOT option in case.in2   Masao ARAI
• [Wien] Optical properties for new and old WIEN   Robertson Burgess
• [Wien] Optical properties for new and old WIEN   Peter Blaha
• [Wien] lapwdm with ROOT option in case.in2   Pavel Novak
• [Wien] lapwdm with ROOT option in case.in2   Masao ARAI
• [Wien] lapwdm with ROOT option in case.in2   Masao ARAI
• [Wien] Imposiblililty to construct the plot   Konstantin Nefedev
• [Wien] conversion from xyz to cif files   Souraya GOUMRI-SAID
• [Wien] conversion from xyz to cif files   Laurence Marks
• [Wien] accuracy test for RKMAX   santhy kathirvelu
• [Wien] conversion from xyz to cif files   Peter Blaha
• [Wien] accuracy test for RKMAX   Peter Blaha
• [Wien] accuracy test for RKMAX   Stefaan Cottenier
• [Wien] Optical properties for new and old WIEN   Robertson Burgess
• [Wien] Optical properties for new and old WIEN   Peter Blaha
• [Wien] accuracy test for RKMAX   santhy kathirvelu
• [Wien] accuracy test for RKMAX   Peter Blaha
• [Wien] lapwdm with ROOT option in case.in2   Pavel Novak
• [Wien] (no subject)   马超
• [Wien] trouble error in scf   jack lory

Last message date: Sat Jun 30 09:40:58 CEST 2007
Archived on: Sat Sep 1 05:02:43 CEST 2007

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