November 2009 Archives by author

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Starting: Sun Nov 1 03:54:23 CET 2009
Ending: Mon Nov 30 18:30:41 CET 2009
Messages: 438

• [Pw_forum] Trouble with parallel running ld1.x   Pavel A. Akulov
• [Pw_forum] magnetic coupling X pressure   Álvaro Alves
• [Pw_forum] question   Mehrnaz Anvari
• [Pw_forum] elph question   Mehrnaz Anvari
• [Pw_forum] phonon dispersion   Mehrnaz Anvari
• [Pw_forum] phonon dispersion   Mehrnaz Anvari
• [Pw_forum] elph guestion   Mehrnaz Anvari
• [Pw_forum] phonon & temperature   Mehrnaz Anvari
• [Pw_forum] elph question   Mehrnaz Anvari
• [Pw_forum] phonon & temperature   Mehrnaz Anvari
• [Pw_forum] elph question   Mehrnaz Anvari
• [Pw_forum] a2F.dos   Mehrnaz Anvari
• [Pw_forum] how to set nr1b, nr2b, nr3b for cp.x when using ultrasoft pseudopotential   Uli Aschauer
• [Pw_forum] how to set nr1b, nr2b, nr3b for cp.x when using ultrasoft pseudopotential   Uli Aschauer
• [Pw_forum] Temperature continuously going down in cp.x run   Uli Aschauer
• [Pw_forum] which is the local potential   Stefano Baroni
• [Pw_forum] magnetic interaction   Stefano Baroni
• [Pw_forum] Density of states   Stefano Baroni
• [Pw_forum] Special k points   Stefano Baroni
• [Pw_forum] Li pseudopotential   Stefano Baroni
• [Pw_forum] confirm 63d7beb150c220f0275a453fc134e323bbbcd213   Stefano Baroni
• [Pw_forum] a question about cppp.x   Stefano Baroni
• [Pw_forum] a question about magnetization   Stefano Baroni
• [Pw_forum] from invmat : error #1 singular matrix   Stefano Baroni
• [Pw_forum] from read_namelists : error # 208   Mehmet Baturay
• [Pw_forum] Calculating Projected density of states   Somesh Kumar Bhattacharya
• [Pw_forum] a question about cppp.x   Somesh Kumar Bhattacharya
• [Pw_forum] Temperature continuously going down in cp.x run   Somesh Kumar Bhattacharya
• [Pw_forum] Temperature continuously going down in cp.x run   Somesh Kumar Bhattacharya
• [Pw_forum] GIPAW: write tensor field   Goranka Bilalbegovic
• [Pw_forum] GIPAW, write tensor field, xsf   Goranka Bilalbegovic
• [Pw_forum] GIPAW, write tensor field, xsf   Goranka Bilalbegovic
• [Pw_forum] GIPAW, write tensor field, xsf   Goranka Bilalbegovic
• [Pw_forum] Calculation of specific irreps only   Turan Birol
• [Pw_forum] Special k points   Turan Birol
• [Pw_forum] e: "cannot open xml_recover file for writing"   Cristian Degli Esposti Boschi
• [Pw_forum] e: "cannot open xml_recover file for writing"   Cristian Degli Esposti Boschi
• [Pw_forum] cannot open xml_recover file for writing   Cristian Degli Esposti Boschi
• [Pw_forum] dedicated wfcdir for PWCOND   J. D. Burton
• [Pw_forum] dedicated wfcdir for PWCOND   J. D. Burton
• [Pw_forum] dedicated wfcdir for PWCOND   J. D. Burton
• [Pw_forum] GIPAW: write tensor field   Davide Ceresoli
• [Pw_forum] GIPAW, write tensor field, xsf   Davide Ceresoli
• [Pw_forum] GIPAW, write tensor field, xsf   Davide Ceresoli
• [Pw_forum] calculations of hyperfine tensor   Davide Ceresoli
• [Pw_forum] problem in nmr calculation   Davide Ceresoli
• [Pw_forum] request help for gaas band structure   Davide Ceresoli
• [Pw_forum] pressure at finite temperature.   Jiayu Dai
• [Pw_forum] Compile of Espresso 4.1.1 fails with PGI   Mark Dixon
• [Pw_forum] a question about Want package   Andrea Ferretti
• [Pw_forum] A problem about Ex.12   Andrea Ferretti
• [Pw_forum] validation of energy values   Prasenjit Ghosh
• [Pw_forum] which is the local potential   Paolo Giannozzi
• [Pw_forum] Fwd: LDA+U problem on Mac   Paolo Giannozzi
• [Pw_forum] fhi2upf.f90 and 'reasonable assumption' of nwfs=lmax_+1   Paolo Giannozzi
• [Pw_forum] wave functions extrapolated written in outdir   Paolo Giannozzi
• [Pw_forum] where is the end of an unconverged NEB calculation   Paolo Giannozzi
• [Pw_forum] question   Paolo Giannozzi
• [Pw_forum] "cannot open xml_recover file for writing"   Paolo Giannozzi
• [Pw_forum] "cannot open xml_recover file for writing"   Paolo Giannozzi
• [Pw_forum] Can not restart EXX-PBE0 Relaxation calculation.   Paolo Giannozzi
• [Pw_forum] phonon dispersion   Paolo Giannozzi
• [Pw_forum] elph question   Paolo Giannozzi
• [Pw_forum] convergence issue for energy calculation of thin film   Paolo Giannozzi
• [Pw_forum] [Help] I need a NC pseudopotential (PBE) of Ca with 10 valence electrons   Paolo Giannozzi
• [Pw_forum] e: "cannot open xml_recover file for writing"   Paolo Giannozzi
• [Pw_forum] oxygen molecule   Paolo Giannozzi
• [Pw_forum] phonon calculations - parallelization over modes   Paolo Giannozzi
• [Pw_forum] Descriptions of FHI and UPF formats?   Paolo Giannozzi
• [Pw_forum] phonon dispersion   Paolo Giannozzi
• [Pw_forum] EXX calculation error   Paolo Giannozzi
• [Pw_forum] Problem in running the software   Paolo Giannozzi
• [Pw_forum] Compile of Espresso 4.1.1 fails with PGI   Paolo Giannozzi
• [Pw_forum] elph question   Paolo Giannozzi
• [Pw_forum] phonon & temperature   Paolo Giannozzi
• [Pw_forum] Generating a pseudo with semicore states   Paolo Giannozzi
• [Pw_forum] phonon & temperature   Paolo Giannozzi
• [Pw_forum] Generating a pseudo with semicore states   Paolo Giannozzi
• [Pw_forum] Li pseudopotential   Paolo Giannozzi
• [Pw_forum] Constraints HOWTO   Paolo Giannozzi
• [Pw_forum] how to set nr1b, nr2b, nr3b for cp.x when using ultrasoft pseudopotential   Paolo Giannozzi
• [Pw_forum] Virtual crystal approximation for vacancy   Paolo Giannozzi
• [Pw_forum] Cannot run parallel jobs with openmpi   Paolo Giannozzi
• [Pw_forum] Constraints HOWTO   Paolo Giannozzi
• [Pw_forum] confirm 63d7beb150c220f0275a453fc134e323bbbcd213   Paolo Giannozzi
• [Pw_forum] dedicated wfcdir for PWCOND   Paolo Giannozzi
• [Pw_forum] library erro   Paolo Giannozzi
• [Pw_forum] Mulliken charges   Paolo Giannozzi
• [Pw_forum] a question about cppp.x   Paolo Giannozzi
• [Pw_forum] EXX in espresso4.1.1   Paolo Giannozzi
• [Pw_forum] about pbs (Gabriele Sclauzero)   Paolo Giannozzi
• [Pw_forum] about pbs   Paolo Giannozzi
• [Pw_forum] cp.x code   Paolo Giannozzi
• [Pw_forum] Trouble with parallel running ld1.x   Paolo Giannozzi
• [Pw_forum] Trouble with parallel running ld1.x   Paolo Giannozzi
• [Pw_forum] non-relativistic calculation   Paolo Giannozzi
• [Pw_forum] Temperature continuously going down in cp.x run   Paolo Giannozzi
• [Pw_forum] How to select plane?   Paolo Giannozzi
• [Pw_forum] Temperature continuously going down in cp.x run   Paolo Giannozzi
• [Pw_forum] a question about magnetization   Paolo Giannozzi
• [Pw_forum] from invmat : error #1 singular matrix   Paolo Giannozzi
• [Pw_forum] from invmat : error #1 singular matrix   Paolo Giannozzi
• [Pw_forum] How do we choose Emin and Emax while calculating the Density of states?   Stefano de Gironcoli
• [Pw_forum] Problem crashes without any error message   Stefano de Gironcoli
• [Pw_forum] scf stops after finishing 100 iteration   Stefano de Gironcoli
• [Pw_forum] makov-payne or ee   Stefano de Gironcoli
• [Pw_forum] makov-payne or ee   Stefano de Gironcoli
• [Pw_forum] A problem about Ex.12   Stefano de Gironcoli
• [Pw_forum] Temperature continuously going down in cp.x run   Stefano de Gironcoli
• [Pw_forum] Books related to Projected density of states   Stefano de Gironcoli
• [Pw_forum] EXX in espresso4.1.1   Helen
• [Pw_forum] k-mesh in pwcond   Zubaer Hossain
• [Pw_forum] k-mesh in pwcond   Zubaer Hossain
• [Pw_forum] total projections < 1   Jiri Houska
• [Pw_forum] total projections < 1   Jiri Houska
• [Pw_forum] cp.x code   Jiri Houska
• [Pw_forum] magnetic interaction   Mighfar Imam
• [Pw_forum] Density of states   Eyvaz Isaev
• [Pw_forum] graphene scf calculation   Eyvaz Isaev
• [Pw_forum] Problem in running nscf calculation at higher number of k points   Eyvaz Isaev
• [Pw_forum] elph question   Eyvaz Isaev
• [Pw_forum] request help for gaas band structure   Eyvaz Isaev
• [Pw_forum] request help for gaas band structure   Eyvaz Isaev
• [Pw_forum] request help for gaas band structure   Eyvaz Isaev
• [Pw_forum] Pw_forum Digest, Vol 29, Issue 68   Johnson, D. Ray
• [Pw_forum] EXX calculation error   Dong Hyun Jung
• [Pw_forum] EXX calculation error   Dong Hyun Jung
• [Pw_forum] Contents of Pw_forum digest   Shyam Khambholja
• [Pw_forum] Thanks   Shyam Khambholja
• [Pw_forum] contents of Pw_forum digest   Shyam Khambholja
• [Pw_forum] GIPAW, write tensor field, xsf   Tone Kokalj
• [Pw_forum] How do we choose Emin and Emax while calculating the Density of states?   Duy Le
• [Pw_forum] magnetic interaction   Duy Le
• [Pw_forum] choosing oxygen and Hydrogen pseudopotentials   Duy Le
• [Pw_forum] HI   Duy Le
• [Pw_forum] about output files   Duy Le
• [Pw_forum] Problem in Calculating Projected density of states   Clark Lee
• [Pw_forum] Installation error on Xcrysden-1.5.21-src-all   Jiaye Li
• [Pw_forum] How to set ecutwfc and ecutrho   Jiaye Li
• [Pw_forum] Installation error on Xcrysden-1.5.21-src-all   Jiaye Li
• [Pw_forum] How to set ecutwfc and ecutrho   Jiaye Li
• [Pw_forum] Cannot run parallel jobs with openmpi   Jiaye Li
• [Pw_forum] Cannot run parallel jobs with openmpi   Jiaye Li
• [Pw_forum] Cannot run parallel jobs with openmpi   Jiaye Li
• [Pw_forum] from invmat : error #1 singular matrix   Lim Chiang Huay, Freda
• [Pw_forum] from invmat : error #1 singular matrix   Lim Chiang Huay, Freda
• [Pw_forum] nothing is written to the output file   H.Y Liu
• [Pw_forum] Can not restart EXX-PBE0 Relaxation calculation.   Madan Mithra. L. M
• [Pw_forum] Finite Electric field   Antonio MSJ
• [Pw_forum] Do you think QE could benefit from the Hyper-Threading Tech of XEON 5500 series?   O. Baris Malcioglu
• [Pw_forum] GIPAW potential for C and N   Gregor Mali
• [Pw_forum] fhi2upf.f90 and 'reasonable assumption' of nwfs=lmax_+1   Brad Malone
• [Pw_forum] fhi2upf.f90 and 'reasonable assumption' of nwfs=lmax_+1   Brad Malone
• [Pw_forum] Descriptions of FHI and UPF formats?   Brad Malone
• [Pw_forum] Generating a pseudo with semicore states   Brad Malone
• [Pw_forum] Generating a pseudo with semicore states   Brad Malone
• [Pw_forum] Generating a pseudo with semicore states   Brad Malone
• [Pw_forum] Calculation of Raman tensor/intensity for material with indirect band overlap   Brad Malone
• [Pw_forum] magnetization value   Madhura Marathe
• [Pw_forum] Constraints HOWTO   Jairo Arbey Rodriguez Martinez
• [Pw_forum] Constraints HOWTO   Jairo Arbey Rodriguez Martinez
• [Pw_forum] Li pseudopotential   Miguel Martínez
• [Pw_forum] Li pseudopotential   Miguel Martínez
• [Pw_forum] choosing oxygen and Hydrogen pseudopotentials   Nicola Marzari
• [Pw_forum] one more question about NEB and CP   Nicola Marzari
• [Pw_forum] difference in energy calculated by "gaussian" and "m-v" smearing   Nicola Marzari
• [Pw_forum] Temperature continuously going down in cp.x run   Nicola Marzari
• [Pw_forum] Temperature continuously going down in cp.x run   Nicola Marzari
• [Pw_forum] LDA+U problem on Mac   Mulazzi Mattia
• [Pw_forum] LDA+U problem on Mac   Mulazzi Mattia
• [Pw_forum] Qe 4.1 compilation problem on Mac solved   Mulazzi Mattia
• [Pw_forum] magnetic interaction   Giuseppe Mattioli
• [Pw_forum] Minimum requirement system   Giuseppe Mattioli
• [Pw_forum] Density of states   Padmaja Patnaik
• [Pw_forum] Density of states   Padmaja Patnaik
• [Pw_forum] Density of states   Padmaja Patnaik
• [Pw_forum] fixing the angle.   Lorenzo Paulatto
• [Pw_forum] fixing the angle.   Lorenzo Paulatto
• [Pw_forum] GIPAW: write tensor field   Lorenzo Paulatto
• [Pw_forum] Problem in Calculating Projected density of states   Lorenzo Paulatto
• [Pw_forum] Calculating Projected density of states   Lorenzo Paulatto
• [Pw_forum] fixing the angle.   Lorenzo Paulatto
• [Pw_forum] Is it possible to calculate projected density of states for only one H in a chain of different atoms   Lorenzo Paulatto
• [Pw_forum] where is the end of an unconverged NEB calculation   Lorenzo Paulatto
• [Pw_forum] total projections < 1   Lorenzo Paulatto
• [Pw_forum] About K Points while running scf and nscf calculation   Lorenzo Paulatto
• [Pw_forum] constraints   Lorenzo Paulatto
• [Pw_forum] constraints   Lorenzo Paulatto
• [Pw_forum] May I get the occupation of the bands   Lorenzo Paulatto
• [Pw_forum] HI   Lorenzo Paulatto
• [Pw_forum] Problem in running the software   Lorenzo Paulatto
• [Pw_forum] constraints   Lorenzo Paulatto
• [Pw_forum] from read_namelists : error # 208   Lorenzo Paulatto
• [Pw_forum] Descriptions of FHI and UPF formats?   Lorenzo Paulatto
• [Pw_forum] Problem in running the software   Lorenzo Paulatto
• [Pw_forum] Problem in running the software   Lorenzo Paulatto
• [Pw_forum] some problem with ld1.x   Lorenzo Paulatto
• [Pw_forum] some problem with ld1.x   Lorenzo Paulatto
• [Pw_forum] Constrained Dynamics (vc-relax)   Lorenzo Paulatto
• [Pw_forum] Generating a pseudo with semicore states   Lorenzo Paulatto
• [Pw_forum] Li pseudopotential   Lorenzo Paulatto
• [Pw_forum] Li pseudopotential   Lorenzo Paulatto
• [Pw_forum] Li pseudopotential   Lorenzo Paulatto
• [Pw_forum] makov-payne or ee   Lorenzo Paulatto
• [Pw_forum] makov-payne or ee   Lorenzo Paulatto
• [Pw_forum] Pw_forum Digest, Vol 29, Issue 44   Lorenzo Paulatto
• [Pw_forum] Cannot run parallel jobs with openmpi   Lorenzo Paulatto
• [Pw_forum] (no subject)   Lorenzo Paulatto
• [Pw_forum] piezoelectric tensor in Pb(ZrxTi1-x)O3   Lorenzo Paulatto
• [Pw_forum] a question about cppp.x   Lorenzo Paulatto
• [Pw_forum] about relax in electric field   Lorenzo Paulatto
• [Pw_forum] Calculation of projected density of states for individual atoms in chain   Lorenzo Paulatto
• [Pw_forum] Trouble with parallel running ld1.x   Lorenzo Paulatto
• [Pw_forum] difference in energy calculated by "gaussian" and "m-v" smearing   Lorenzo Paulatto
• [Pw_forum] a question about Want package   Lorenzo Paulatto
• [Pw_forum] a question about Want package   Lorenzo Paulatto
• [Pw_forum] regular kmesh   Lorenzo Paulatto
• [Pw_forum] Number of processor and the size of system   Lorenzo Paulatto
• [Pw_forum] Minimum requirement system   Lorenzo Paulatto
• [Pw_forum] from invmat : error #1 singular matrix   Lorenzo Paulatto
• [Pw_forum] from invmat : error #1 singular matrix   Lorenzo Paulatto
• [Pw_forum] Finite Electric field   Lorenzo Paulatto
• [Pw_forum] maybe intresting for you   Mahmoud Payami
• [Pw_forum] wave functions extrapolated written in outdir   Eduardo Ariel Menendez Proupin
• [Pw_forum] optimize the geometry   Q.J.Wang
• [Pw_forum] about pbs   Q.J.Wang
• [Pw_forum] relax with lelfield   Q.J.Wang
• [Pw_forum] about pbs (Gabriele Sclauzero)   Q.J.Wang
• [Pw_forum] about pbs   Q.J.Wang
• [Pw_forum] about relax in electric field   Q.J.Wang
• [Pw_forum] fixing the angle.   Bipul Rakshit
• [Pw_forum] fixing the angle.   Bipul Rakshit
• [Pw_forum] Particular Phonon mode   Bipul Rakshit
• [Pw_forum] fixing the angle.   Bipul Rakshit
• [Pw_forum] CVS version of espresso   Bipul Rakshit
• [Pw_forum] Constrained Dynamics (vc-relax)   Vivek Ranjan
• [Pw_forum] About hyperfine interaction   Arles V. Gil Rebaza
• [Pw_forum] Li pseudopotential   Elena Redondo
• [Pw_forum] Li pseudopotential   Elena Redondo
• [Pw_forum] phonon calculations - parallelization over modes   Nichols A. Romero
• [Pw_forum] QE postdoc opportunity @ ANL   Nichols A. Romero
• [Pw_forum] Pair correlation function   Bertrand SITAMTZE
• [Pw_forum] CP.x and adiabaticity   Bertrand SITAMTZE
• [Pw_forum] magnetization value   Gabriele Sclauzero
• [Pw_forum] LDA+U problem on Mac   Gabriele Sclauzero
• [Pw_forum] Fwd: LDA+U problem on Mac   Gabriele Sclauzero
• [Pw_forum] scf stops after finishing 100 iteration   Gabriele Sclauzero
• [Pw_forum] Fwd: LDA+U problem on Mac   Gabriele Sclauzero
• [Pw_forum] Particular Phonon mode   Gabriele Sclauzero
• [Pw_forum] k-mesh in pwcond   Gabriele Sclauzero
• [Pw_forum] total projections < 1   Gabriele Sclauzero
• [Pw_forum] k-mesh in pwcond   Gabriele Sclauzero
• [Pw_forum] HI   Gabriele Sclauzero
• [Pw_forum] May I get the occupation of the bands   Gabriele Sclauzero
• [Pw_forum] How to set ecutwfc and ecutrho   Gabriele Sclauzero
• [Pw_forum] Problem in running nscf calculation at higher number of k points   Gabriele Sclauzero
• [Pw_forum] charge density plots_'charge-density.dat '   Gabriele Sclauzero
• [Pw_forum] lowdin charge   Gabriele Sclauzero
• [Pw_forum] Cannot run parallel jobs with openmpi   Gabriele Sclauzero
• [Pw_forum] dedicated wfcdir for PWCOND   Gabriele Sclauzero
• [Pw_forum] dedicated wfcdir for PWCOND   Gabriele Sclauzero
• [Pw_forum] dedicated wfcdir for PWCOND   Gabriele Sclauzero
• [Pw_forum] surface band structure and dos   Gabriele Sclauzero
• [Pw_forum] about pbs   Gabriele Sclauzero
• [Pw_forum] about pbs (Gabriele Sclauzero)   Gabriele Sclauzero
• [Pw_forum] A problem about Ex.12   Gabriele Sclauzero
• [Pw_forum] a question about magnetization   Gabriele Sclauzero
• [Pw_forum] How to set atomic position with Pb(Zr_xTi_1-x)O3   Gabriele Sclauzero
• [Pw_forum] magnetic coupling X pressure   Gabriele Sclauzero
• [Pw_forum] contents of Pw_forum digest   Gabriele Sclauzero
• [Pw_forum] Mulliken charges   Olga Sedelnikova
• [Pw_forum] GIPAW potential for C and N   Ari P Seitsonen
• [Pw_forum] GIPAW potential for C and N   Ari P Seitsonen
• [Pw_forum] calculations of hyperfine tensor   Ari P Seitsonen
• [Pw_forum] Problem in Calculating Projected density of states   Dimpy Sharma
• [Pw_forum] Calculating Projected density of states   Dimpy Sharma
• [Pw_forum] Calculating Projected density of states   Dimpy Sharma
• [Pw_forum] Problem in Calculating Projected density of states   Dimpy Sharma
• [Pw_forum] Calculating Projected density of states   Dimpy Sharma
• [Pw_forum] sorry for my repeated message as the mail keeps on bouncing continously.   Dimpy Sharma
• [Pw_forum] scf stops after finishing 100 iteration   Dimpy Sharma
• [Pw_forum] Problem in running nscf calculation at higher number of k points   Dimpy Sharma
• [Pw_forum] Calculation of projected density of states for individual atoms in chain   Dimpy Sharma
• [Pw_forum] Suggested book for projected density of states   Dimpy Sharma
• [Pw_forum] Books related to Projected density of states   Dimpy Sharma
• [Pw_forum] How do we choose Emin and Emax while calculating the Density of states?   Shaptrishi Sharma
• [Pw_forum] Problem crashes without any error message   Shaptrishi Sharma
• [Pw_forum] Is it possible to calculate projected density of states for only one H in a chain of different atoms   Shaptrishi Sharma
• [Pw_forum] About K Points while running scf and nscf calculation   Shaptrishi Sharma
• [Pw_forum] library erro   Shaptrishi Sharma
• [Pw_forum] Number of processor and the size of system   Shaptrishi Sharma
• [Pw_forum] ee potential   Nicholas E. Singh-Miller
• [Pw_forum] Left and right going Bloch's states from PWCOND   Alexander Smogunov
• [Pw_forum] Left and right going Bloch's states from PWCOND   Alexander Smogunov
• [Pw_forum] Left and right going Bloch's states from PWCOND   Manoj Srivastava
• [Pw_forum] graphene scf calculation   Derek Stewart
• [Pw_forum] from invmat : error #1 singular matrix   Michael Sullivan
• [Pw_forum] confirm eeb733b0f43e6ef4e462730785414abfa728bef2   Abebaw_Assefa Tadesse
• [Pw_forum] graphene scf calculation   Vit
• [Pw_forum] GIPAW potential for C and N   Jones Tsz-Kai Wan
• [Pw_forum] GIPAW potential for C and N   Jones Tsz-Kai Wan
• [Pw_forum] GIPAW potential for C and N   Jones Tsz-Kai Wan
• [Pw_forum] calculations of hyperfine tensor   Jones Tsz-Kai Wan
• [Pw_forum] problem in nmr calculation   Jones Tsz-Kai Wan
• [Pw_forum] problem in nmr calculation   Jones Tsz-Kai Wan
• [Pw_forum] problem in nmr calculation   Jones Tsz-Kai Wan
• [Pw_forum] problem in nmr calculation   Jones Tsz-Kai Wan
• [Pw_forum] Hybrid functional   Jones Tsz-Kai Wan
• [Pw_forum] [Help] I need a NC pseudopotential (PBE) of Ca with 10 valence electrons   Hui Wang
• [Pw_forum] how to make scf converged for a (3,0) CNT?   Zhu Xi
• [Pw_forum] problems on spin polarized lowdin charges   Y.M.Qian
• [Pw_forum] Problem in running the software   Chenpeng Zang
• [Pw_forum] Problem in running the software   Chenpeng Zang
• [Pw_forum] Problem in running the software   Chenpeng Zang
• [Pw_forum] Problem in running the software   Chenpeng Zang
• [Pw_forum] Problem in running the software   Chenpeng Zang
• [Pw_forum] How to select plane?   Chenpeng Zang
• [Pw_forum] Do you think QE could benefit from the Hyper-ThreadingTech of XEON 5500 series?   Huiqun Zhou
• [Pw_forum] LDA+U problem on Mac   Marino Vetuschi Zuccolini
• [Pw_forum] scf stops after finishing 100 iteration   udayagiri sai babu
• [Pw_forum] one more question about NEB and CP   charlary
• [Pw_forum] CVS version of espresso   marsamos at democritos.it
• [Pw_forum] Hybrid functional   marsamos at democritos.it
• [Pw_forum] request help for gaas band structure   duchl06
• [Pw_forum] how to make scf converged for a (3,0) CNT?   lan haiping
• [Pw_forum] about pbs   lan haiping
• [Pw_forum] Problems concerning fhi2upf   nazari at iasbs.ac.ir
• [Pw_forum] magnetization value   kajal jindal
• [Pw_forum] magnetic interaction   kajal jindal
• [Pw_forum] magnetic interaction   kajal jindal
• [Pw_forum] (no subject)   ali kazempour
• [Pw_forum] constraints   ali kazempour
• [Pw_forum] constraints   ali kazempour
• [Pw_forum] oxygen molecule   ali kazempour
• [Pw_forum] gipaw   ali kazempour
• [Pw_forum] makov-payne or ee   ali kazempour
• [Pw_forum] ee potential   ali kazempour
• [Pw_forum] Ti GIPAW   ali kazempour
• [Pw_forum] ee potential   ali kazempour
• [Pw_forum] average   ali kazempour
• [Pw_forum] EE   ali kazempour
• [Pw_forum] regular kmesh   ali kazempour
• [Pw_forum] lowdin charge   yaldaa kh
• [Pw_forum] choosing oxygen and Hydrogen pseudopotentials   vamsi kv
• [Pw_forum] validation of energy values   vamsi kv
• [Pw_forum] where is the end of an unconverged NEB calculation   vega lew
• [Pw_forum] where is the end of an unconverged NEB calculation   vega lew
• [Pw_forum] where is the end of an unconverged NEB calculation   vega lew
• [Pw_forum] Something about the bandwith of memory   vega lew
• [Pw_forum] how to set nr1b, nr2b, nr3b for cp.x when using ultrasoft pseudopotential   vega lew
• [Pw_forum] how to set nr1b, nr2b, nr3b for cp.x when using ultrasoft pseudopotential   vega lew
• [Pw_forum] how to set nr1b, nr2b, nr3b for cp.x when using ultrasoft pseudopotential   vega lew
• [Pw_forum] how to set nr1b, nr2b, nr3b for cp.x when using ultrasoft pseudopotential   vega lew
• [Pw_forum] a question about cppp.x   vega lew
• [Pw_forum] a question about cppp.x   vega lew
• [Pw_forum] a question about cppp.x   vega lew
• [Pw_forum] a question about cppp.x   vega lew
• [Pw_forum] one more question about NEB and CP   vega lew
• [Pw_forum] one more question about NEB and CP   vega lew
• [Pw_forum] Do you think QE could benefit from the Hyper-Threading Tech of XEON 5500 series?   vega lew
• [Pw_forum] Temperature continuously going down in cp.x run   vega lew
• [Pw_forum] Temperature continuously going down in cp.x run   vega lew
• [Pw_forum] Temperature continuously going down in cp.x run   vega lew
• [Pw_forum] Temperature continuously going down in cp.x run   vega lew
• [Pw_forum] Temperature continuously going down in cp.x run   vega lew
• [Pw_forum] Temperature continuously going down in cp.x run   vega lew
• [Pw_forum] Temperature continuously going down in cp.x run   vega lew
• [Pw_forum] How to decide fnosep for slab model describing the heterogeneous reaction   vega lew
• [Pw_forum] Temperature continuously going down in cp.x run   vega lew
• [Pw_forum] Temperature continuously going down in cp.x run   vega lew
• [Pw_forum] Do you think QE could benefit from the Hyper-Threading Tech of XEON 5500 series?   vega lew
• [Pw_forum] where is the end of an unconverged NEB calculation   lfhuang
• [Pw_forum] where is the end of an unconverged NEB calculation   lfhuang
• [Pw_forum] one more question about NEB and CP   lfhuang
• [Pw_forum] one more question about NEB and CP   lfhuang
• [Pw_forum] one more question about NEB and CP   lfhuang
• [Pw_forum] HI   mohsen modaresi
• [Pw_forum] HI   mohsen modaresi
• [Pw_forum] Special k points   mohsen modaresi
• [Pw_forum] from read_namelists : error # 208   mohsen modaresi
• [Pw_forum] some problem with ld1.x   mohsen modaresi
• [Pw_forum] some problem with ld1.x   mohsen modaresi
• [Pw_forum] some problem with ld1.x   mohsen modaresi
• [Pw_forum] phonon & temperature   mohsen modaresi
• [Pw_forum] about output files   mohsen modaresi
• [Pw_forum] elph question   mohsen modaresi
• [Pw_forum] elph question   mohsen modaresi
• [Pw_forum] Contents of Pw_forum digest   mohsen modaresi
• [Pw_forum] a question about Want package   mohsen modaresi
• [Pw_forum] a question about Want package   mohsen modaresi
• [Pw_forum] a question about Want package   mohsen modaresi
• [Pw_forum] request help for gaas band structure   mohsen modaresi
• [Pw_forum] request help for gaas band structure   mohsen modaresi
• [Pw_forum] request help for gaas band structure   mohsen modaresi
• [Pw_forum] A problem about Ex.12   mohsen modaresi
• [Pw_forum] A problem about Ex.12   mohsen modaresi
• [Pw_forum] request help for gaas band structure   mohsen modaresi
• [Pw_forum] a question about magnetization   mohsen modaresi
• [Pw_forum] a question about magnetization   mohsen modaresi
• [Pw_forum] a question about magnetization   mohsen modaresi
• [Pw_forum] a question about magnetization   mohsen modaresi
• [Pw_forum] Minimum requirement system   mohsen modaresi
• [Pw_forum] Minimum requirement system   mohsen modaresi
• [Pw_forum] Minimum requirement system   mohsen modaresi
• [Pw_forum] Minimum requirement system   mohsen modaresi
• [Pw_forum] surface band structure and dos   isaac motochi
• [Pw_forum] (no subject)   zahra sadat naghavi
• [Pw_forum] non-relativistic calculation   runhai ouyang
• [Pw_forum] convergence issue for energy calculation of thin film   mohnish pandey
• [Pw_forum] convergence issue for energy calculation of thin film   mohnish pandey
• [Pw_forum] charge density plots_'charge-density.dat '   mohnish pandey
• [Pw_forum] charge density plots_'charge-density.dat '   mohnish pandey
• [Pw_forum] difference in energy calculated by "gaussian" and "m-v" smearing   mohnish pandey
• [Pw_forum] difference in energy calculated by "gaussian" and "m-v" smearing   mohnish pandey
• [Pw_forum] confirm 63d7beb150c220f0275a453fc134e323bbbcd213   patriot pershing
• [Pw_forum] Pw_forum Digest, Vol 29, Issue 44   mtt physics
• [Pw_forum] piezoelectric tensor in Pb(ZrxTi1-x)O3   mtt physics
• [Pw_forum] The piezoelectric calculated from First-principles   mtt physics
• [Pw_forum] How to set atomic position with Pb(Zr_xTi_1-x)O3   mtt physics
• [Pw_forum] charge density plots_'charge-density.dat '   dev sharma
• [Pw_forum] Virtual crystal approximation for vacancy   yuning wu
• [Pw_forum] which is the local potential   wujianchun
• [Pw_forum] May I get the occupation of the bands   wujianchun
• [Pw_forum] May I get the occupation of the bands   wujianchun
• [Pw_forum] Is it possible to calculate projected density of states for only one H in a chain of different atoms   xirainbow
• [Pw_forum] k-mesh in pwcond   xirainbow
• [Pw_forum] Special k points   xirainbow
• [Pw_forum] How to set ecutwfc and ecutrho   xirainbow
• [Pw_forum] graphene scf calculation   xirainbow
• [Pw_forum] phonon dispersion   xirainbow
• [Pw_forum] phonon & temperature   xirainbow
• [Pw_forum] Mulliken charges   xirainbow
• [Pw_forum] Contents of Pw_forum digest   xirainbow
• [Pw_forum] contents of Pw_forum digest   xirainbow
• [Pw_forum] Books related to Projected density of states   xirainbow
• [Pw_forum] "cannot open xml_recover file for writing"   shu xu
• [Pw_forum] Can not restart EXX-PBE0 Relaxation calculation.   snd2mra at yahoo.com
• [Pw_forum] request help for gaas band structure   程迎春

Last message date: Mon Nov 30 18:30:41 CET 2009
Archived on: Mon Nov 30 18:30:46 CET 2009

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