August 2009 Archives by author

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Starting: Sat Aug 1 03:25:37 CEST 2009
Ending: Mon Aug 31 21:25:45 CEST 2009
Messages: 434

• [Pw_forum] Bandstructure   MAHASIN ALAM
• [Pw_forum] Bandstructure   MAHASIN ALAM
• [Pw_forum] Fermi enery   MAHASIN ALAM
• [Pw_forum] Geometry Optimization   MAHASIN ALAM
• [Pw_forum] insufficient virtual memory   Raji Abdulrafiu
• [Pw_forum] bond length   Alwaleed Adllan
• [Pw_forum] bond length   Alwaleed Adllan
• [Pw_forum] meaning of delgep & cutplot   Pablo Aguado
• [Pw_forum] does cell_dofree work?   Pablo Aguado
• [Pw_forum] scf   Álvaro Alves
• [Pw_forum] scf   Álvaro Alves
• [Pw_forum] magnetic coupling   Álvaro Alves
• [Pw_forum] magnetic coupling   Álvaro Alves
• [Pw_forum] magnetic coupling   Álvaro Alves
• [Pw_forum] magnetic coupling   Álvaro Alves
• [Pw_forum] error message : from calbec : error # 3 size mismatch   Dal Corso Andrea
• [Pw_forum] Invalid lattice parameters error   Vahid Askarpour
• [Pw_forum] Volume in a supercell   Stefano Baroni
• [Pw_forum] *.fc file in PW_SCF help.   Stefano Baroni
• [Pw_forum] *.fc file in PW_SCF help.   Stefano Baroni
• [Pw_forum] Bandstructure   Stefano Baroni
• [Pw_forum] transition   Stefano Baroni
• [Pw_forum] Geometry Optimization   Stefano Baroni
• [Pw_forum] TDDFT and GW   Stefano Baroni
• [Pw_forum] nelec   Stefano Baroni
• [Pw_forum] Interpreting DOS   Stefano Baroni
• [Pw_forum] generating k point weights   Stefano Baroni
• [Pw_forum] davico error while calculating projected density of states   Stefano Baroni
• [Pw_forum] generating k point weights   Stefano Baroni
• [Pw_forum] Doubt in Phonon calculations   Stefano Baroni
• [Pw_forum] GW   Stefano Baroni
• [Pw_forum] negative (alpha)^2*F(w)   Stefano Baroni
• [Pw_forum] scf   Stefano Baroni
• [Pw_forum] scf   Stefano Baroni
• [Pw_forum] Request for Pseudopotentials Si and H   Stefano Baroni
• [Pw_forum] About zero point energy   Stefano Baroni
• [Pw_forum] matdyn file output   Stefano Baroni
• [Pw_forum] calculating cohesive energy   Stefano Baroni
• [Pw_forum] LDA and U and OP   Cyrille Barreteau
• [Pw_forum] More ncpp2upf and fhi2upf   Nicole Benedek
• [Pw_forum] Band Character   Sumanta Bhandary
• [Pw_forum] Questions about Thermal properties calculation   john Bob
• [Pw_forum] Questions about Thermal properties calculation   john Bob
• [Pw_forum] Questions about Thermal properties calculation   john Bob
• [Pw_forum] Interferences between symmetry generation and "ecutrho" value   Sylvian Cadars
• [Pw_forum] output redirection with gipaw.x   Sylvian Cadars
• [Pw_forum] output redirection with gipaw.x   Sylvian Cadars
• [Pw_forum] output redirection and temporary directory with gipaw.x   Sylvian Cadars
• [Pw_forum] << running QE in parallel >>   I. Camps
• [Pw_forum] << running QE in parallel >>   I. Camps
• [Pw_forum] << running QE in parallel >>   I. Camps
• [Pw_forum] << running QE in parallel >>   I. Camps
• [Pw_forum] Fwd:NMR of benzene   Davide Ceresoli
• [Pw_forum] Fwd:NMR of benzene   Davide Ceresoli
• [Pw_forum] output redirection with gipaw.x   Davide Ceresoli
• [Pw_forum] occupation   Matteo Cococcioni
• [Pw_forum] t2g and eg states from output   Matteo Cococcioni
• [Pw_forum] U for Oxygen   Matteo Cococcioni
• [Pw_forum] U for Oxygen   Matteo Cococcioni
• [Pw_forum] change the refeeeeeeeeence   Matteo Cococcioni
• [Pw_forum] change the refeeeeeeeeence   Matteo Cococcioni
• [Pw_forum] U for Oxygen   Matteo Cococcioni
• [Pw_forum] U for Oxygen   Matteo Cococcioni
• [Pw_forum] bond length   Matteo Cococcioni
• [Pw_forum] about U   Matteo Cococcioni
• [Pw_forum] Correlated wave-function in real space   Matteo Cococcioni
• [Pw_forum] Questions about Thermal properties calculation   Andrea Dal Corso
• [Pw_forum] PAW pseudo-potential for Al and Ni   Nguyen Thanh Cuong
• [Pw_forum] TDDFT and GW   Jiayu Dai
• [Pw_forum] TDDFT and GW   Jiayu Dai
• [Pw_forum] pw_forum   Dr.rastegar
• [Pw_forum] (no subject)   Dr.rastegar
• [Pw_forum] PseudoPotential for Ce?   Stefano Fabris
• [Pw_forum] point charge   Stefano Fabris
• [Pw_forum] Problem in parallel execution, please help   Andrea Ferretti
• [Pw_forum] DOS and pDOS parallelization   Andrea Ferretti
• [Pw_forum] DOS and pDOS parallelization   Andrea Ferretti
• [Pw_forum] *.fc file in PW_SCF help.   Paolo Giannozzi
• [Pw_forum] about larger system's frequence calculation   Paolo Giannozzi
• [Pw_forum] *.fc file in PW_SCF help.   Paolo Giannozzi
• [Pw_forum] Pw_forum Digest, Vol 26, Issue 2   Paolo Giannozzi
• [Pw_forum] *.fc file in PW_SCF help.   Paolo Giannozzi
• [Pw_forum] *.fc file in PW_SCF help.   Paolo Giannozzi
• [Pw_forum] Bandstructure   Paolo Giannozzi
• [Pw_forum] CVS vs released versions   Paolo Giannozzi
• [Pw_forum] LOOP WAS VECTORISE   Paolo Giannozzi
• [Pw_forum] LOOP WAS VECTORISE   Paolo Giannozzi
• [Pw_forum] printing wavefunction on real grid   Paolo Giannozzi
• [Pw_forum] IBM-AIX vs ifort   Paolo Giannozzi
• [Pw_forum] References for damped dynamics structural minimization?   Paolo Giannozzi
• [Pw_forum] runtime error   Paolo Giannozzi
• [Pw_forum] running the parallel code   Paolo Giannozzi
• [Pw_forum] compile error, pathscale compiler   Paolo Giannozzi
• [Pw_forum] matdyn error   Paolo Giannozzi
• [Pw_forum] line crossing Valance bands (VB) & CB   Paolo Giannozzi
• [Pw_forum] Request for Pseudopotentials for Si and H   Paolo Giannozzi
• [Pw_forum] point charge   Paolo Giannozzi
• [Pw_forum] More ncpp2upf and fhi2upf   Paolo Giannozzi
• [Pw_forum] matdyn.x warning message   Paolo Giannozzi
• [Pw_forum] average potential   Paolo Giannozzi
• [Pw_forum] symmetry operations   Paolo Giannozzi
• [Pw_forum] force   Paolo Giannozzi
• [Pw_forum] matdyn.x warning message   Paolo Giannozzi
• [Pw_forum] LDA+U and phonon   Paolo Giannozzi
• [Pw_forum] matdyn.x warning message   Paolo Giannozzi
• [Pw_forum] problem in parallel running   Paolo Giannozzi
• [Pw_forum] problem in parallel running   Paolo Giannozzi
• [Pw_forum] Interferences between symmetry generation and "ecutrho" value   Paolo Giannozzi
• [Pw_forum] output redirection with gipaw.x   Paolo Giannozzi
• [Pw_forum] Default values used in Quantum espresso manuals   Paolo Giannozzi
• [Pw_forum] Vol 26, Issue 80Re: error message : from calbec : error # 3 size mismatch   Paolo Giannozzi
• [Pw_forum] Volume in a supercell   Stefano de Gironcoli
• [Pw_forum] *.fc file in PW_SCF help.   Stefano de Gironcoli
• [Pw_forum] *.fc file in PW_SCF help.   Stefano de Gironcoli
• [Pw_forum] add or subtract electron   Stefano de Gironcoli
• [Pw_forum] Trying to clarify the dipole correction (again!)   Stefano de Gironcoli
• [Pw_forum] scf   Stefano de Gironcoli
• [Pw_forum] ban band number   Stefano de Gironcoli
• [Pw_forum] Trying to clarify the dipole correction (again!)   Stefano de Gironcoli
• [Pw_forum] cp.x: interpolation tables recalculation   Stefano de Gironcoli
• [Pw_forum] Interferences between symmetry generation and "ecutrho" value   Stefano de Gironcoli
• [Pw_forum] Questions about Thermal properties calculation   Eyvaz Isaev
• [Pw_forum] Questions about Thermal properties calculation   Eyvaz Isaev
• [Pw_forum] Questions about Thermal properties calculation   Eyvaz Isaev
• [Pw_forum] Questions about Thermal properties calculation   Eyvaz Isaev
• [Pw_forum] Questions about Thermal properties calculation   Eyvaz Isaev
• [Pw_forum] Doubt in Phonon calculations   Eyvaz Isaev
• [Pw_forum] Doubt in Phonon calculations   Eyvaz Isaev
• [Pw_forum] (no subject)   Eyvaz Isaev
• [Pw_forum] Charge is wrong ...in the output file   Eyvaz Isaev
• [Pw_forum] scf   Eyvaz Isaev
• [Pw_forum] scf   Eyvaz Isaev
• [Pw_forum] Frequency and zero point energy calculations   Eyvaz Isaev
• [Pw_forum] About zero point energy   Eyvaz Isaev
• [Pw_forum] Eigenvalues not converging   Eyvaz Isaev
• [Pw_forum] Lo-To spliting   Eyvaz Isaev
• [Pw_forum] matdyn.x warning message   Eyvaz Isaev
• [Pw_forum] matdyn.x warning message (Mikiyas Tsegaye)   Eyvaz Isaev
• [Pw_forum] Question about K-points   Eyvaz Isaev
• [Pw_forum] ph.x can only address LDA potentials? (Gabriele Sclauzero)   Eyvaz Isaev
• [Pw_forum] matdyn file output   Denny Jackson
• [Pw_forum] Polarization testing warning   Denny Jackson
• [Pw_forum] Invalid lattice parameters error   Lex Kemper
• [Pw_forum] printing wavefunction on real grid   Tone Kokalj
• [Pw_forum] compile error, pathscale compiler   Jess Kondor
• [Pw_forum] inter_pool_comm   Dmitry Korotin
• [Pw_forum] About cut-off energy   Parveen Kr
• [Pw_forum] ld1.x: Generate pseudo potential for Co   Duy Le
• [Pw_forum] ld1.x: Generate pseudo potential for Co   Duy Le
• [Pw_forum] vc-relax or relax   Duy Le
• [Pw_forum] Question about K-points   Duy Le
• [Pw_forum] problem in parallel running   Duy Le
• [Pw_forum] problem in parallel running   Duy Le
• [Pw_forum] GaAs Band structure   Duy Le
• [Pw_forum] << running QE in parallel >>   Duy Le
• [Pw_forum] Default values used in Quantum espresso manuals   Duy Le
• [Pw_forum] calculating cohesive energy   Duy Le
• [Pw_forum] runtime error   Aritz Leonardo
• [Pw_forum] Correlated wave-function in real space   Andreas Linscheid
• [Pw_forum] Correlated wave-function in real space   Andreas Linscheid
• [Pw_forum] Questions about Thermal properties calculation   Tengfei Luo
• [Pw_forum] DOS and pDOS parallelization   Madhura Marathe
• [Pw_forum] DOS and pDOS parallelization   Madhura Marathe
• [Pw_forum] DOS and pDOS parallelization   Madhura Marathe
• [Pw_forum] cp.x: interpolation tables recalculation   Jairo Arbey Rodriguez Martinez
• [Pw_forum] cp.x: interpolation tables recalculation   Jairo Arbey Rodriguez Martinez
• [Pw_forum] about kvec   Miguel Martínez
• [Pw_forum] advice from Stefano Baroni   Nicola Marzari
• [Pw_forum] *.fc file in PW_SCF help.   Nicola Marzari
• [Pw_forum] *.fc file in PW_SCF help.   Nicola Marzari
• [Pw_forum] How to convert OCTOPUS generated PP to UPF format   Nicola Marzari
• [Pw_forum] global U   Nicola Marzari
• [Pw_forum] Doubt in computation time   Nicola Marzari
• [Pw_forum] About zero point energy   Nicola Marzari
• [Pw_forum] How to convert OCTOPUS generated PP to UPF format   Samir Ranjan Meher
• [Pw_forum] Eigenvalues not converging   Samir Ranjan Meher
• [Pw_forum] t2g and eg states from output   Mansoureh Pashangpour
• [Pw_forum] transition   Mansoureh Pashangpour
• [Pw_forum] Pseudopotential of Cr and Mn   Padmaja Patnaik
• [Pw_forum] USPP are not implemented   Lorenzo Paulatto
• [Pw_forum] average.x and workfunction calculations   Lorenzo Paulatto
• [Pw_forum] generating k point weights   Lorenzo Paulatto
• [Pw_forum] Fermi enery   Lorenzo Paulatto
• [Pw_forum] printing wavefunction on real grid   Lorenzo Paulatto
• [Pw_forum] printing wavefunction on real grid   Lorenzo Paulatto
• [Pw_forum] LOOP WAS VECTORISE   Lorenzo Paulatto
• [Pw_forum] add or subtract electron   Lorenzo Paulatto
• [Pw_forum] Does the dos.x only work with npool=1   Lorenzo Paulatto
• [Pw_forum] Segmentation fault   Lorenzo Paulatto
• [Pw_forum] Geometry Optimization   Lorenzo Paulatto
• [Pw_forum] Geometry Optimization   Lorenzo Paulatto
• [Pw_forum] Geometry Optimization   Lorenzo Paulatto
• [Pw_forum] chargedensity   Lorenzo Paulatto
• [Pw_forum] Fwd: relaxation of perovskite structure   Lorenzo Paulatto
• [Pw_forum] Problem in parallel execution, please help   Lorenzo Paulatto
• [Pw_forum] Error in output file   Lorenzo Paulatto
• [Pw_forum] Pw_forum Digest, Vol 26, Issue 34   Lorenzo Paulatto
• [Pw_forum] Request for Pseudopotentials Si and H   Lorenzo Paulatto
• [Pw_forum] PAW pseudo-potential for Al and Ni   Lorenzo Paulatto
• [Pw_forum] Request for Pseudopotentials for Si and H   Lorenzo Paulatto
• [Pw_forum] Eigenvalues not converging   Lorenzo Paulatto
• [Pw_forum] Band Character   Lorenzo Paulatto
• [Pw_forum] Invalid lattice parameters error   Lorenzo Paulatto
• [Pw_forum] Relax calculation in quantum espresso with 56 atoms had not been converged   Lorenzo Paulatto
• [Pw_forum] insufficient virtual memory   Lorenzo Paulatto
• [Pw_forum] vc-relax or relax   Lorenzo Paulatto
• [Pw_forum] average potential   Lorenzo Paulatto
• [Pw_forum] shift kpoint   Lorenzo Paulatto
• [Pw_forum] Request for Er pseudo potential   Lorenzo Paulatto
• [Pw_forum] problem in parallel running   Lorenzo Paulatto
• [Pw_forum] Question about K-points   Lorenzo Paulatto
• [Pw_forum] does cell_dofree work?   Lorenzo Paulatto
• [Pw_forum] Pseudopotential for Li   Lorenzo Paulatto
• [Pw_forum] Re : Re:Pseudopotential for Li   Lorenzo Paulatto
• [Pw_forum] << running QE in parallel >>   Lorenzo Paulatto
• [Pw_forum] << running QE in parallel >>   Lorenzo Paulatto
• [Pw_forum] Does the dos.x only work with npool=1   Haowei Peng
• [Pw_forum] nelec   Haowei Peng
• [Pw_forum] Interpreting DOS   Leandro Moreira de Campos Pinto
• [Pw_forum] failure with npool   Eduardo Ariel Menendez Proupin
• [Pw_forum] CVS vs released versions   Bipul Rakshit
• [Pw_forum] LOOP WAS VECTORISE   Bipul Rakshit
• [Pw_forum] LOOP WAS VECTORISE   Bipul Rakshit
• [Pw_forum] nspin=2 for GGA Pseudopotential   Bipul Rakshit
• [Pw_forum] IBM-AIX vs ifort   Bipul Rakshit
• [Pw_forum] relaxation of perovskite structure   Bipul Rakshit
• [Pw_forum] Fwd: relaxation of perovskite structure   Bipul Rakshit
• [Pw_forum] davico error while calculating projected density of states   Bipul Rakshit
• [Pw_forum] davico error while calculating projected density of states   Bipul Rakshit
• [Pw_forum] davico error while calculating projected density of states   Bipul Rakshit
• [Pw_forum] Doubt in Phonon calculations   Bipul Rakshit
• [Pw_forum] Doubt in Phonon calculations   Bipul Rakshit
• [Pw_forum] difference in vc-relax and relax calculations   Bipul Rakshit
• [Pw_forum] matdyn error   Bipul Rakshit
• [Pw_forum] LDA+U and phonon   Bipul Rakshit
• [Pw_forum] Question about K-points   Bipul Rakshit
• [Pw_forum] about kvec   Bipul Rakshit
• [Pw_forum] LDA and U and OP   Bipul Rakshit
• [Pw_forum] References for damped dynamics structural minimization?   J. J. Ramsey
• [Pw_forum] Trying to clarify the dipole correction (again!)   J. J. Ramsey
• [Pw_forum] Trying to clarify the dipole correction (again!)   J. J. Ramsey
• [Pw_forum] More ncpp2upf and fhi2upf   J. J. Ramsey
• [Pw_forum] average potential   Marcello Rosini
• [Pw_forum] symmetry operations   Marcello Rosini
• [Pw_forum] Pseudopotential for Li   Bertrand SITAMTZE
• [Pw_forum] Re : Re:Pseudopotential for Li   Bertrand SITAMTZE
• [Pw_forum] Re : Re:Pseudopotential for Li   Bertrand SITAMTZE
• [Pw_forum] davico error while calculating projected density of states   Gabriele Sclauzero
• [Pw_forum] Segmentation fault   Gabriele Sclauzero
• [Pw_forum] generating k point weights   Gabriele Sclauzero
• [Pw_forum] generating k point weights   Gabriele Sclauzero
• [Pw_forum] davico error while calculating projected density of states   Gabriele Sclauzero
• [Pw_forum] inter_pool_comm   Gabriele Sclauzero
• [Pw_forum] Difinition of V_bare and electric field potential   Gabriele Sclauzero
• [Pw_forum] Frequency and zero point energy calculations   Gabriele Sclauzero
• [Pw_forum] Reply (was Frequency and zero point energy calculations)   Gabriele Sclauzero
• [Pw_forum] spin splitting   Gabriele Sclauzero
• [Pw_forum] spin splitting   Gabriele Sclauzero
• [Pw_forum] Band Character   Gabriele Sclauzero
• [Pw_forum] Request for Er pseudo potential   Gabriele Sclauzero
• [Pw_forum] insufficient virtual memory   Gabriele Sclauzero
• [Pw_forum] magnetic coupling   Gabriele Sclauzero
• [Pw_forum] meaning of delgep & cutplot   Gabriele Sclauzero
• [Pw_forum] spin splitting   Gabriele Sclauzero
• [Pw_forum] Reply (was Frequency and zero point energy calculations)   Gabriele Sclauzero
• [Pw_forum] theory on Raman cross sections   Gabriele Sclauzero
• [Pw_forum] ph.x can only address LDA potentials?   Gabriele Sclauzero
• [Pw_forum] << running QE in parallel >>   Gabriele Sclauzero
• [Pw_forum] << running QE in parallel >>   Gabriele Sclauzero
• [Pw_forum] Error in output file   Dimpy Sharma
• [Pw_forum] Pw_forum Digest, Vol 26, Issue 34   Dimpy Sharma
• [Pw_forum] (no subject)   Dimpy Sharma
• [Pw_forum] Charge is wrong ...in the output file   Dimpy Sharma
• [Pw_forum] Calculation of spin polarisation from PWscf   Dimpy Sharma
• [Pw_forum] Request for Pseudopotentials for Si and H   Dimpy Sharma
• [Pw_forum] Calculation of spin polarisation in odd electrons in PWscf   Shaptrishi Sharma
• [Pw_forum] Request for Pseudopotentials Si and H   Shaptrishi Sharma
• [Pw_forum] Relax calculation in quantum espresso with 56 atoms had not been converged   Shaptrishi Sharma
• [Pw_forum] Pw_forum Digest, Vol 26, Issue 52   Shaptrishi Sharma
• [Pw_forum] Default values used in Quantum espresso manuals   Shaptrishi Sharma
• [Pw_forum] About cut-off energy   Luke Shulenburger
• [Pw_forum] Epsilon error   Neel Singh
• [Pw_forum] error in running epsilon   Neel Singh
• [Pw_forum] USPP are not implemented   Neel Singh
• [Pw_forum] USPP are not implemented   Neel Singh
• [Pw_forum] Doubt in computation time   Neel Singh
• [Pw_forum] PseudoPotential for Ce?   Neel Singh
• [Pw_forum] generating k point weights   Manoj Srivastava
• [Pw_forum] Fermi enery   Manoj Srivastava
• [Pw_forum] generating k point weights   Manoj Srivastava
• [Pw_forum] Request for Pseudopotentials Si and H   Manoj Srivastava
• [Pw_forum] question about PWCOND   Manoj Srivastava
• [Pw_forum] question about PWCOND   Manoj Srivastava
• [Pw_forum] TDDFT and GW   Geoffrey Stenuit
• [Pw_forum] GW   Geoffrey Stenuit
• [Pw_forum] GW   Geoffrey Stenuit
• [Pw_forum] GWW   Geoffrey Stenuit
• [Pw_forum] Geometry Optimization   Michael Sullivan
• [Pw_forum] Geometry Optimization   Michael Sullivan
• [Pw_forum] TDDFT and GW   Michael Sullivan
• [Pw_forum] Relax calculation in quantum espresso with 56 atoms had not been converged   Michael Sullivan
• [Pw_forum] Relax calculation in quantum espresso with 56 atoms had not been converged   Michael Sullivan
• [Pw_forum] negative (alpha)^2*F(w)   Ali Tavana
• [Pw_forum] negative a2F(w)/w   Ali Tavana
• [Pw_forum] About cut-off energy   Caloma Trumica
• [Pw_forum] matdyn error   Mikiyas Tsegaye
• [Pw_forum] matdyn.x warning message   Mikiyas Tsegaye
• [Pw_forum] matdyn.x warning message (Mikiyas Tsegaye)   Mikiyas Tsegaye
• [Pw_forum] matdyn.x warning message   Mikiyas Tsegaye
• [Pw_forum] Fermi enery   Hande Ustunel
• [Pw_forum] More ncpp2upf and fhi2upf   Eric J. Walter
• [Pw_forum] More ncpp2upf and fhi2upf   Eric J. Walter
• [Pw_forum] Questions about Thermal properties calculation   Kun Yin
• [Pw_forum] Questions about Thermal properties calculation   Kun Yin
• [Pw_forum] scf   Huiqun Zhou
• [Pw_forum] problem in parallel running   Huiqun Zhou
• [Pw_forum] cohesive energy   udayagiri sai babu
• [Pw_forum] calculating cohesive energy   udayagiri sai babu
• [Pw_forum] Atom projected phonon DOS   nahid bd
• [Pw_forum] printing wavefunction on real grid   vtmtrinh at caltech.edu
• [Pw_forum] printing wavefunction on real grid   vtmtrinh at caltech.edu
• [Pw_forum] printing wavefunction on real grid   vtmtrinh at caltech.edu
• [Pw_forum] printing wavefunction on real grid   vtmtrinh at caltech.edu
• [Pw_forum] spin splitting   vtmtrinh at caltech.edu
• [Pw_forum] spin splitting   vtmtrinh at caltech.edu
• [Pw_forum] spin splitting   vtmtrinh at caltech.edu
• [Pw_forum] spin splitting   vtmtrinh at caltech.edu
• [Pw_forum] spin splitting   vtmtrinh at caltech.edu
• [Pw_forum] Difinition of V_bare and electric field potential   loc duong ding
• [Pw_forum] davico error while calculating projected density of states   shruba at gmail.com
• [Pw_forum] algaas scf calculation   sreekar guddeti
• [Pw_forum] algaas scf calculation   sreekar guddeti
• [Pw_forum] Pw_forum Digest, Vol 26, Issue 73   sreekar guddeti
• [Pw_forum] average.x and workfunction calculations   lan haiping
• [Pw_forum] *.fc file in PW_SCF help.   lan haiping
• [Pw_forum] *.fc file in PW_SCF help.   lan haiping
• [Pw_forum] nelec modify   lan haiping
• [Pw_forum] Error in output file   lan haiping
• [Pw_forum] Calculation of spin polarisation from PWscf   lan haiping
• [Pw_forum] More ncpp2upf and fhi2upf   lan haiping
• [Pw_forum] vc-relax or relax   lan haiping
• [Pw_forum] force   lan haiping
• [Pw_forum] GaAs Band structure   lan haiping
• [Pw_forum] cohesive energy   lan haiping
• [Pw_forum] Lo-To spliting   liu hanyu
• [Pw_forum] generating k-point weights   shobhana at jncasr.ac.in
• [Pw_forum] occupation   ali kazempour
• [Pw_forum] U for Oxygen   ali kazempour
• [Pw_forum] U for Oxygen   ali kazempour
• [Pw_forum] change the refeeeeeeeeence   ali kazempour
• [Pw_forum] change the refeeeeeeeeence   ali kazempour
• [Pw_forum] U for Oxygen   ali kazempour
• [Pw_forum] add or subtract electron   ali kazempour
• [Pw_forum] add or subtract electron   ali kazempour
• [Pw_forum] U for Oxygen   ali kazempour
• [Pw_forum] nelec   ali kazempour
• [Pw_forum] nelec modify   ali kazempour
• [Pw_forum] global U   ali kazempour
• [Pw_forum] affinity   ali kazempour
• [Pw_forum] point charge   ali kazempour
• [Pw_forum] vc-relax or relax   ali kazempour
• [Pw_forum] force   ali kazempour
• [Pw_forum] shift kpoint   ali kazempour
• [Pw_forum] GWW   ali kazempour
• [Pw_forum] GWW   ali kazempour
• [Pw_forum] error-GWW   ali kazempour
• [Pw_forum] average.x and workfunction calculations   yaldaa kh
• [Pw_forum] chargedensity   vamsi kv
• [Pw_forum] running the parallel code   vamsi kv
• [Pw_forum] Doubt in computation time   vega lew
• [Pw_forum] magnetic coupling   lfhuang
• [Pw_forum] about larger system's frequence calculation   lidonglin556
• [Pw_forum] Fwd:NMR of benzene   nlu at mail.ustc.edu.cn
• [Pw_forum] Fwd:NMR of benzene   nlu at mail.ustc.edu.cn
• [Pw_forum] GaAs Band structure   nand
• [Pw_forum] Pw_forum Digest, Vol 26, Issue 2   null
• [Pw_forum] Frequency and zero point energy calculations   oulihui666
• [Pw_forum] About zero point energy   oulihui666
• [Pw_forum] Frequency and zero point energy   oulihui666
• [Pw_forum] Segmentation fault   leila salimi
• [Pw_forum] Segmentation fault   leila salimi
• [Pw_forum] line crossing Valance bands (VB) & CB   dev sharma
• [Pw_forum] Problem in parallel execution, please help   dev sharma
• [Pw_forum] ban band number   dev sharma
• [Pw_forum] Request for Er pseudo potential   dev sharma
• [Pw_forum] Request for Er pseudo potential   dev sharma
• [Pw_forum] problem in parallel running   dev sharma
• [Pw_forum] problem in parallel running   dev sharma
• [Pw_forum] problem in parallel running   dev sharma
• [Pw_forum] problem in parallel running   dev sharma
• [Pw_forum] problem in parallel running   dev sharma
• [Pw_forum] scf   spmmal
• [Pw_forum] about U   wangqj1
• [Pw_forum] GW   wangqj1
• [Pw_forum] *.fc file in PW_SCF help.   xirainbow
• [Pw_forum] *.fc file in PW_SCF help.   xirainbow
• [Pw_forum] *.fc file in PW_SCF help.   xirainbow
• [Pw_forum] *.fc file in PW_SCF help.   xirainbow
• [Pw_forum] *.fc file in PW_SCF help.   xirainbow
• [Pw_forum] *.fc file in PW_SCF help.   xirainbow
• [Pw_forum] *.fc file in PW_SCF help.   xirainbow
• [Pw_forum] *.fc file in PW_SCF help.   xirainbow
• [Pw_forum] *.fc file in PW_SCF help.   xirainbow
• [Pw_forum] nspin=2 for GGA Pseudopotential   xirainbow
• [Pw_forum] nspin=2 for GGA Pseudopotential   xirainbow
• [Pw_forum] chargedensity   xirainbow
• [Pw_forum] Geometry Optimization   xirainbow
• [Pw_forum] Geometry Optimization   xirainbow
• [Pw_forum] TDDFT and GW   xirainbow
• [Pw_forum] TDDFT and GW   xirainbow
• [Pw_forum] Questions about Thermal properties calculation   xirainbow
• [Pw_forum] Questions about Thermal properties calculation   xirainbow
• [Pw_forum] Questions about Thermal properties calculation   xirainbow
• [Pw_forum] Questions about Thermal properties calculation   xirainbow
• [Pw_forum] Questions about Thermal properties calculation   xirainbow
• [Pw_forum] Questions about Thermal properties calculation   xirainbow
• [Pw_forum] Problem in parallel execution, please help   xirainbow
• [Pw_forum] generating k point weights   xirainbow
• [Pw_forum] generating k point weights   xirainbow
• [Pw_forum] generating k point weights   xirainbow
• [Pw_forum] Doubt in Phonon calculations   xirainbow
• [Pw_forum] Doubt in Phonon calculations   xirainbow
• [Pw_forum] point charge   xirainbow
• [Pw_forum] force   xirainbow
• [Pw_forum] problem in parallel running   xirainbow
• [Pw_forum] problem in parallel running   xirainbow
• [Pw_forum] theory on Raman cross sections   shu xu
• [Pw_forum] ph.x can only address LDA potentials?   刘永铎
• [Pw_forum] ph.x can only address LDA potentials? (Gabriele Sclauzero)   刘永铎
• [Pw_forum] ph.x can only address LDA potentials? (Gabriele Sclauzero)   刘永铎
• [Pw_forum] error message : from calbec : error # 3 size mismatch   刘永铎
• [Pw_forum] Vol 26, Issue 80Re: error message : from calbec : error # 3 size mismatch   刘永铎
• [Pw_forum] LDA+U for noncollinear   程迎春
• [Pw_forum] does cell_dofree work?   程迎春

Last message date: Mon Aug 31 21:25:45 CEST 2009
Archived on: Wed Feb 28 11:04:03 CET 2018

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