May 2014 Archives by author

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Starting: Thu May 1 06:10:15 CEST 2014
Ending: Sat May 31 09:05:35 CEST 2014
Messages: 321

• [Pw_forum] Fermi energy   DELLACA' Valentina (CRF)
• [Pw_forum] R: Fermi energy   DELLACA' Valentina (CRF)
• [Pw_forum] wavefunctions are different at the same k-point from phonon   Jiawei Zhou (周嘉炜)
• [Pw_forum] pseudopotential issue   "Alexandra Carvalho (雅丽）"
• [Pw_forum] Reg: Convergence of doped supercell   Suresh A
• [Pw_forum] Convergence of doped supercell regarding   Suresh A
• [Pw_forum] plotting band structure by fixing fermi level at VBM   Sohail Ahmad
• [Pw_forum] Problem in restart file and ion_positions   Alex
• [Pw_forum] Off-topic: parallel compilation   Marcos Veríssimo Alves
• [Pw_forum] Off-topic: parallel compilation   Marcos Veríssimo Alves
• [Pw_forum] vcut_get; q vector out of the grid ERROR   Ankit
• [Pw_forum] UPF version 1 pseudopotentials   Vaida Arcisauskaite
• [Pw_forum] UPF version 1 pseudopotentials   Vaida Arcisauskaite
• [Pw_forum] Davidson diagonalization with overlap   Hadi Arefi
• [Pw_forum] drawing the HOMO and LUMO   Hadi Arefi
• [Pw_forum] Problem Regarding neb calculation   RAMESWAR BHATTACHARJEE
• [Pw_forum] QE MD trajectory   Pascal BOULET
• [Pw_forum] DFT-DF   Pascal BOULET
• [Pw_forum] question on parallelism on bands   Pascal BOULET
• [Pw_forum] Bad termination in hybrid functional calculation   Rajdeep Banerjee
• [Pw_forum] Bad termination in hybrid functional calculation (Mehmet Topsakal)   Rajdeep Banerjee
• [Pw_forum] Bad termination in hybrid functional calculation (Mehmet Topsakal)   Rajdeep Banerjee
• [Pw_forum] Bad termination in hybrid functional calculation (Sclauzero Gabriele)   Rajdeep Banerjee
• [Pw_forum] can one do hybrid calculations with smearing   Rajdeep Banerjee
• [Pw_forum] Possibility of hybrid calculation under electric field   Rajdeep Banerjee
• [Pw_forum] pw2wannier.x error   Rajdeep Banerjee
• [Pw_forum] pw2wannier.x error   Rajdeep Banerjee
• [Pw_forum] pw2wannier.x error   Rajdeep Banerjee
• [Pw_forum] GPU serial compiling error   Reza Behjatmanesh-Ardakani
• [Pw_forum] GPU serial compiling error   Reza Behjatmanesh-Ardakani
• [Pw_forum] Problens with etot_vs_alat of gold   Aline Bidoul
• [Pw_forum] Problens with etot_vs_alat of gold   Aline Bidoul
• [Pw_forum] q-point mesh in PHonon   Franco Bonafé
• [Pw_forum] q-point mesh in PHonon   Franco Bonafé
• [Pw_forum] Raman cross sections in Phonon   Franco Bonafé
• [Pw_forum] Hubbard U Calculation for Hematite   Pietro Bonfa'
• [Pw_forum] Interacting ions   Valentina Cantatore
• [Pw_forum] (no subject)   Giovanni Cantele
• [Pw_forum] kpdos image   Giovanni Cantele
• [Pw_forum] k points   Giovanni Cantele
• [Pw_forum] Regarding the Error of Namelists.....   Giovanni Cantele
• [Pw_forum] Counterpoise correction   Giovanni Cantele
• [Pw_forum] simple questions   Caroline
• [Pw_forum] Error in routine bands   Caroline
• [Pw_forum] Error in routine bands   Caroline
• [Pw_forum] k points   Caroline
• [Pw_forum] k points   Caroline
• [Pw_forum] GIPAW memory problem?   Davide Ceresoli
• [Pw_forum] GIPAW memory problem?   Davide Ceresoli
• [Pw_forum] Spin Calculations.   Nguyen Chuong
• [Pw_forum] Hubbard U Calculation for Hematite   Matteo Cococcioni
• [Pw_forum] Hubbard U Calculation for Hematite   Matteo Cococcioni
• [Pw_forum] Hubbard U Calculation for Hematite   Matteo Cococcioni
• [Pw_forum] magnetic moment with LDA+U   Matteo Cococcioni
• [Pw_forum] Hubbard coefficients   Matteo Cococcioni
• [Pw_forum] Hubbard U   Matteo Cococcioni
• [Pw_forum] Eigenvectors in a LDA+U calculation   Matteo Cococcioni
• [Pw_forum] multiples site Hubbard U   Matteo Cococcioni
• [Pw_forum] resp_mat.f90   Matteo Cococcioni
• [Pw_forum] LAPACK_LIB   Riemann Derakhshan
• [Pw_forum] Band structure of graphene   Pooja Dhorge
• [Pw_forum] error compiling svn version   Lorenzo Donà
• [Pw_forum] error compiling svn version   Lorenzo Donà
• [Pw_forum] error compiling svn version   Lorenzo Donà
• [Pw_forum] error compiling svn version   Lorenzo Donà
• [Pw_forum] error compiling svn version   Lorenzo Donà
• [Pw_forum] error compiling svn version   Lorenzo Donà
• [Pw_forum] Error in routine bands   Feng, Zimin
• [Pw_forum] Error in routine bands   Feng, Zimin
• [Pw_forum] ibrav7 doesn't show the structure of BaNi2As2 correctly   David Foster
• [Pw_forum] ibrav7 doesn't show the structure of BaNi2As2 correctly   David Foster
• [Pw_forum] ibrav7 doesn't show the structure of BaNi2As2 correctly   David Foster
• [Pw_forum] ibrav7 doesn't show the structure of BaNi2As2 correctly   David Foster
• [Pw_forum] ibrav7 doesn't show the structure of BaNi2As2 correctly   David Foster
• [Pw_forum] ibrav7 doesn't show the structure of BaNi2As2 correctly   David Foster
• [Pw_forum] ibrav7 doesn't show the structure of BaNi2As2 correctly   David Foster
• [Pw_forum] ibrav7 doesn't show the structure of BaNi2As2 correctly   David Foster
• [Pw_forum] ibrav7 doesn't show the structure of BaNi2As2 correctly   David Foster
• [Pw_forum] ibrav7 doesn't show the structure of BaNi2As2 correctly   David Foster
• [Pw_forum] hybrid preprocessing   Tommaso Francese
• [Pw_forum] Fwd: hybrid preprocessing   Tommaso Francese
• [Pw_forum] hybrid preprocessig   Tommaso Francese
• [Pw_forum] kpdos image   Tommaso Francese
• [Pw_forum] Pw_forum Digest, Vol 82, Issue 12   Tommaso Francese
• [Pw_forum] Hubbarb coefficients   Tommaso Francese
• [Pw_forum] Hubbard U   Tommaso Francese
• [Pw_forum] multiples site Hubbard U   Tommaso Francese
• [Pw_forum] resp_mat.f90   Tommaso Francese
• [Pw_forum] Pw_forum Digest, Vol 82, Issue 30   Tommaso Francese
• [Pw_forum] Bad termination in hybrid functional calculation   Sclauzero Gabriele
• [Pw_forum] Bad termination in hybrid functional calculation   Paolo Giannozzi
• [Pw_forum] phonon calculation   Paolo Giannozzi
• [Pw_forum] hybrid preprocessing   Paolo Giannozzi
• [Pw_forum] phonon Calculation   Paolo Giannozzi
• [Pw_forum] error compiling svn version   Paolo Giannozzi
• [Pw_forum] error compiling svn version   Paolo Giannozzi
• [Pw_forum] error compiling svn version   Paolo Giannozzi
• [Pw_forum] error compiling svn version   Paolo Giannozzi
• [Pw_forum] hybrid preprocessig   Paolo Giannozzi
• [Pw_forum] epsilon run   Paolo Giannozzi
• [Pw_forum] vcut_get; q vector out of the grid ERROR   Paolo Giannozzi
• [Pw_forum] Pslibrary not writing pwscf.rdf.dat   Paolo Giannozzi
• [Pw_forum] UPF version 1 pseudopotentials   Paolo Giannozzi
• [Pw_forum] imaginary dielectric tensor   Paolo Giannozzi
• [Pw_forum] q-point mesh in PHonon   Paolo Giannozzi
• [Pw_forum] integrated charge error   Paolo Giannozzi
• [Pw_forum] psudopotential generation   Paolo Giannozzi
• [Pw_forum] is AM05 implemented??   Paolo Giannozzi
• [Pw_forum] Blyp exchange-correlation functional   Paolo Giannozzi
• [Pw_forum] Off-topic: parallel compilation   Paolo Giannozzi
• [Pw_forum] Conergence Delay   Paolo Giannozzi
• [Pw_forum] Factor M in electron-phonon coupling matrix element   Paolo Giannozzi
• [Pw_forum] Factor M in electron-phonon coupling matrix element   Paolo Giannozzi
• [Pw_forum] DFT-DF   Paolo Giannozzi
• [Pw_forum] CP in QE vs. CPMD from www.cpmd.org   Paolo Giannozzi
• [Pw_forum] Fwd: NaN in plotbands.x   Paolo Giannozzi
• [Pw_forum] Regarding the Error of Namelists.....   Paolo Giannozzi
• [Pw_forum] questions about the results of projwfc.x   Paolo Giannozzi
• [Pw_forum] Problem in restart file and ion_positions   Paolo Giannozzi
• [Pw_forum] question on parallelism on bands   Paolo Giannozzi
• [Pw_forum] Real space force constants file   Paolo Giannozzi
• [Pw_forum] Getting Exchange and Correlation Energies Separately   Paolo Giannozzi
• [Pw_forum] projwfc / ZHEEV parameter   Paolo Giannozzi
• [Pw_forum] CP.x error Warning: card ignored   Paolo Giannozzi
• [Pw_forum] QE 5.1 version   Paolo Giannozzi
• [Pw_forum] QE 5.1 version   Paolo Giannozzi
• [Pw_forum] (no subject)   Paolo Giannozzi
• [Pw_forum] Interacting ions   Paolo Giannozzi
• [Pw_forum] Reg: To calculate EOS using Quantum espresso.   Paolo Giannozzi
• [Pw_forum] Hybrid calculation stop!!   Paolo Giannozzi
• [Pw_forum] GPU serial compiling error   Ivan Girotto
• [Pw_forum] all electron charge density cube file for bader analysis   Thomas Gruber
• [Pw_forum] Pw_forum Digest, Vol 82, Issue 8   Thomas Gruber
• [Pw_forum] Problem with phonon interpolated frequencies   Mayank Gupta
• [Pw_forum] Reg: To calculate EOS using Quantum espresso.   Sanjeev Gupta
• [Pw_forum] questions about the results of projwfc.x   H*X
• [Pw_forum] questions about the results of projwfc.x   H*X
• [Pw_forum] questions about the results of projwfc.x   H*X
• [Pw_forum] questions about the results of projwfc.x   H*X
• [Pw_forum] questions about the results of projwfc.x   H*X
• [Pw_forum] 回复： questions about the results of projwfc.x   H*X
• [Pw_forum] 回复： 回复： questions about the results of projwfc.x   H*X
• [Pw_forum] simple questions   Robert Hembree
• [Pw_forum] Plot of charge density for specific band and kpoint   Robert Hembree
• [Pw_forum] GIPAW memory problem?   Aleksander Jaworski
• [Pw_forum] GIPAW memory problem?   Aleksander Jaworski
• [Pw_forum] GIPAW memory problem?   Aleksander Jaworski
• [Pw_forum] GIPAW memory problem?   Aleksander Jaworski
• [Pw_forum] Counterpoise correction   Francis Jing
• [Pw_forum] Counterpoise correction   Francis Jing
• [Pw_forum] error compiling svn version   Axel Kohlmeyer
• [Pw_forum] error compiling svn version   Axel Kohlmeyer
• [Pw_forum] error compiling svn version   Axel Kohlmeyer
• [Pw_forum] k points   Axel Kohlmeyer
• [Pw_forum] k points   Axel Kohlmeyer
• [Pw_forum] Pseudopotential combination   Axel Kohlmeyer
• [Pw_forum] CP in QE vs. CPMD from www.cpmd.org   Axel Kohlmeyer
• [Pw_forum] CP in QE vs. CPMD from www.cpmd.org   Axel Kohlmeyer
• [Pw_forum] CP in QE vs. CPMD from www.cpmd.org   Axel Kohlmeyer
• [Pw_forum] Regarding the Error of Namelists.....   Tone Kokalj
• [Pw_forum] ibrav7 doesn't show the structure of BaNi2As2 correctly   Tone Kokalj
• [Pw_forum] ibrav7 doesn't show the structure of BaNi2As2 correctly   Tone Kokalj
• [Pw_forum] ibrav7 doesn't show the structure of BaNi2As2 correctly   Tone Kokalj
• [Pw_forum] ibrav7 doesn't show the structure of BaNi2As2 correctly   Tone Kokalj
• [Pw_forum] ibrav7 doesn't show the structure of BaNi2As2 correctly   Tone Kokalj
• [Pw_forum] Counterpoise correction   Tone Kokalj
• [Pw_forum] Fwd: Error when using wannier_ham.x for graphene   Dmitry Korotin
• [Pw_forum] Fwd: Error when using wannier_ham.x for graphene   Dmitry Korotin
• [Pw_forum] (no subject)   Masoud Mansouri
• [Pw_forum] Conergence Delay   Mike Marchywka
• [Pw_forum] vcut_get; q vector out of the grid ERROR   Layla Martin-Samos
• [Pw_forum] vcut_get; q vector out of the grid ERROR   Layla Martin-Samos
• [Pw_forum] can one do hybrid calculations with smearing   Nicola Marzari
• [Pw_forum] Two questions on a La2O3 slab: (1) inconsistent energy results; (2) "maximum number of steps has been reached"   Giuseppe Mattioli
• [Pw_forum] Two questions on a La2O3 slab: (1) inconsistent energy results; (2) "maximum number of steps has been reached"   Giuseppe Mattioli
• [Pw_forum] Two questions on a La2O3 slab: (1) inconsistent energy results; (2) "maximum number of steps has been reached"   Giuseppe Mattioli
• [Pw_forum] Hubbarb coefficients   Giuseppe Mattioli
• [Pw_forum] band structure for fullerene   Giuseppe Mattioli
• [Pw_forum] Off-topic: parallel compilation   Giuseppe Mattioli
• [Pw_forum] DFT-DF   Giuseppe Mattioli
• [Pw_forum] About LDA+U method on ZnO structural optimiztion   Giuseppe Mattioli
• [Pw_forum] About LDA+U method on ZnO structural optimiztion   Giuseppe Mattioli
• [Pw_forum] Fermi energy   Giuseppe Mattioli
• [Pw_forum] Hubbard U   Giuseppe Mattioli
• [Pw_forum] Interacting ions   Giuseppe Mattioli
• [Pw_forum] Pslibrary not writing pwscf.rdf.dat   Prateek Mehta
• [Pw_forum] Pslibrary not writing pwscf.rdf.dat   Prateek Mehta
• [Pw_forum] QE MD trajectory   Prateek Mehta
• [Pw_forum] Eigenvectors in a LDA+U calculation   Juan J. Meléndez
• [Pw_forum] Eigenvectors in a LDA+U calculation   Juan J. Meléndez
• [Pw_forum] Pseudopotential combination   Elliot Menkah
• [Pw_forum] Pseudopotential combination   Elliot Menkah
• [Pw_forum] Pseudopotential combination   Elliot Menkah
• [Pw_forum] Conergence Delay   Elliot Menkah
• [Pw_forum] a suitable direction for k-POINT   Farzad Molani
• [Pw_forum] band structure for fullerene   Farzad Molani
• [Pw_forum] high symmetric Points   BENYAHIA NEZHA
• [Pw_forum] high symmetric Points   BENYAHIA NEZHA
• [Pw_forum] high symmetric Points   BENYAHIA NEZHA
• [Pw_forum] high symmetric Points   BENYAHIA NEZHA
• [Pw_forum] Blyp exchange-correlation functional   BENYAHIA NEZHA
• [Pw_forum] Blyp exchange-correlation functional   BENYAHIA NEZHA
• [Pw_forum] (no subject)   Banafshe Noori
• [Pw_forum] drawing the HOMO and LUMO   Banafshe Noori
• [Pw_forum] Blyp exchange-correlation functional   Olayinka, Samson A.
• [Pw_forum] projwfc / ZHEEV parameter   Osmair Vital Osmair
• [Pw_forum] UPF version 1 pseudopotentials   Lorenzo Paulatto
• [Pw_forum] Fwd: NaN in plotbands.x   Lorenzo Paulatto
• [Pw_forum] Hybrid calculation stop!!   Lorenzo Paulatto
• [Pw_forum] all electron charge density cube file for bader analysis   Giovanni La Penna
• [Pw_forum] pw2wannier.x error   Giovanni Pizzi
• [Pw_forum] ibrav7 doesn't show the structure of BaNi2As2 correctly   Giovanni Pizzi
• [Pw_forum] pw2wannier.x error   Giovanni Pizzi
• [Pw_forum] phonon calculation   Saied Md Pratik
• [Pw_forum] phonon Calculation   Saied Md Pratik
• [Pw_forum] Hubbard U Calculation for Hematite   Sai Kumar Ramadugu
• [Pw_forum] Hubbard U Calculation for Hematite   Sai Kumar Ramadugu
• [Pw_forum] Problens with etot_vs_alat of gold   Arles V. Gil Rebaza
• [Pw_forum] questions about the results of projwfc.x   Ariadna Blanca Romero
• [Pw_forum] Hubbarb coefficients   Pang Rui
• [Pw_forum] Hubbard U   Pang Rui
• [Pw_forum] About calculating exchange parameters   Pang Rui
• [Pw_forum] Off-topic: parallel compilation   Pang Rui
• [Pw_forum] integrated charge error   Pang Rui
• [Pw_forum] Factor M in electron-phonon coupling matrix element   Sridhar Sadasivam
• [Pw_forum] Factor M in electron-phonon coupling matrix element   Sridhar Sadasivam
• [Pw_forum] Real space force constants file   Sridhar Sadasivam
• [Pw_forum] Real space force constants file   Sridhar Sadasivam
• [Pw_forum] How to add supercell to QE i/p file   Sridhar Sadasivam
• [Pw_forum] Fwd: fft-check warning: sum of imaginary terms 0 .1649464E-06 in q2r.x   Kondaiah Samudrala
• [Pw_forum] CP in QE vs. CPMD from www.cpmd.org   S. Sanchez
• [Pw_forum] CP in QE vs. CPMD from www.cpmd.org   S. Sanchez
• [Pw_forum] CP in QE vs. CPMD from www.cpmd.org   S. Sanchez
• [Pw_forum] CP.x error Warning: card ignored   S. Sanchez
• [Pw_forum] Getting Exchange and Correlation Energies Separately   Kayahan Saritas
• [Pw_forum] Electric Field for 2D systems   Shahid Sattar
• [Pw_forum] questions about the results of projwfc.x   Gabriele Sclauzero
• [Pw_forum] high symmetric Points   Ari P Seitsonen
• [Pw_forum] high symmetric Points   Ari P Seitsonen
• [Pw_forum] Problens with etot_vs_alat of gold   Ari P Seitsonen
• [Pw_forum] negatives frequencies phonon calculation   Ari P Seitsonen
• [Pw_forum] can one do hybrid calculations with smearing   Ari P Seitsonen
• [Pw_forum] negatives frequencies phonon calculation   Ari P Seitsonen
• [Pw_forum] LAPACK_LIB   Ari P Seitsonen
• [Pw_forum] Graphene_fixed calculation   Ari P Seitsonen
• [Pw_forum] Counterpoise correction   Ari P Seitsonen
• [Pw_forum] Pseudopotential dependent projection when using DFT+U   Ari Paavo Seitsonen
• [Pw_forum] Pseudopotential dependent projection when using DFT+U   Ari Paavo Seitsonen
• [Pw_forum] Off-topic: parallel compilation   Filippo Spiga
• [Pw_forum] LAPACK_LIB   Filippo Spiga
• [Pw_forum] integrated charge error   Filippo Spiga
• [Pw_forum] NaN in plotbands.x   Varadharajan Srinivasan
• [Pw_forum] Fwd: NaN in plotbands.x   Varadharajan Srinivasan
• [Pw_forum] Fwd: NaN in plotbands.x   Varadharajan Srinivasan
• [Pw_forum] Fwd: NaN in plotbands.x   Varadharajan Srinivasan
• [Pw_forum] 回复： questions about the results of projwfc.x   Varadharajan Srinivasan
• [Pw_forum] is AM05 implemented??   Sakhrawi Taoufek
• [Pw_forum] Hybrid calculation stop!!   Sakhrawi Taoufek
• [Pw_forum] Hubbard coefficients   Tommy
• [Pw_forum] R: Pw_forum Digest, Vol 82, Issue 16   Tommy
• [Pw_forum] Hubbard U   Tommy
• [Pw_forum] Bad termination in hybrid functional calculation   Mehmet Topsakal
• [Pw_forum] Graphene_fixed calculation   Higuchi Toshiharu
• [Pw_forum] Graphene_fixed calculation   Higuchi Toshiharu
• [Pw_forum] Graphene_fixed calculation   Higuchi Toshiharu
• [Pw_forum] epsilon run   H.Y Geoffrey Tse
• [Pw_forum] pseudopotential issue   H.Y Geoffrey Tse
• [Pw_forum] imaginary dielectric tensor   H.Y Geoffrey Tse
• [Pw_forum] Reply to: negatives frequencies phonon calculation   Muthu V
• [Pw_forum] Graphene_fixed calculation   Muthu V
• [Pw_forum] QE 5.1 version   Suza W
• [Pw_forum] Davidson diagonalization with overlap   Qianqian Wang
• [Pw_forum] Pseudopotential dependent projection when using DFT+U   Zhongnan Xu
• [Pw_forum] negatives frequencies phonon calculation   Halima Zaari
• [Pw_forum] negatives frequencies phonon calculation   Halima Zaari
• [Pw_forum] (no subject)   Halima Zaari
• [Pw_forum] (no subject)   Halima Zaari
• [Pw_forum] wannier_ham.x takes long time, wonder why?   L Zhang
• [Pw_forum] question on parallelism on bands   pascal boulet
• [Pw_forum] Regarding the Error of Namelists.....   siddheshwar chopra
• [Pw_forum] Graphene_fixed calculation   siddheshwar chopra
• [Pw_forum] Graphene_fixed calculation   siddheshwar chopra
• [Pw_forum] Graphene_fixed calculation   siddheshwar chopra
• [Pw_forum] How to add supercell to QE i/p file   siddheshwar chopra
• [Pw_forum] How to add supercell to QE i/p file   siddheshwar chopra
• [Pw_forum] Conductivity measurements using QE...   siddheshwar chopra
• [Pw_forum] high symmetric Points   dingfu.shao
• [Pw_forum] Hybrid calculation stop!!   toufik esssakhri
• [Pw_forum] Hybrid calculation stop!!   toufik esssakhri
• [Pw_forum] Hybrid calculation stop!!   toufik esssakhri
• [Pw_forum] Hybrid calculation stop!!   toufik esssakhri
• [Pw_forum] Ferrimagnetic system   Chemam faïçal
• [Pw_forum] About LDA+U method on ZnO structural optimiztion   jijun gong
• [Pw_forum] About LDA+U method on ZnO structural optimiztion   jijun gong
• [Pw_forum] About LDA+U method on ZnO structura   jijun gong
• [Pw_forum] Phonon frequency calculation from Matdyn.x   mayank gupta
• [Pw_forum] Fwd: Phonon frequency calculation from Matdyn.x   mayank gupta
• [Pw_forum] regarding band structure plot   himanshu at iopb.res.in
• [Pw_forum] regarding band structure plot   himanshu at iopb.res.in
• [Pw_forum] I-V   raha khalili
• [Pw_forum] DFT-DF   mohammad moaddeli
• [Pw_forum] CaCO3 - Convergence of the total energy problem   mohammad moaddeli
• [Pw_forum] DFT-DF   mohammad moaddeli
• [Pw_forum] roots not converged using GIPAW (qE 5.0.3)   roberta pigliapochi
• [Pw_forum] Force and total energy   zafar rasheed
• [Pw_forum] vcut_get; q vector out of the grid ERROR   rauleg
• [Pw_forum] Reg: To calculate EOS using Quantum espresso.   Peram sreenivasa reddy
• [Pw_forum] Two questions on a La2O3 slab: (1) inconsistent energy results; (2) "maximum number of steps has been reached"   noon at seas.ucla.edu
• [Pw_forum] Two questions on a La2O3 slab: (1) inconsistent energy results; (2) "maximum number of steps has been reached"   noon at seas.ucla.edu
• [Pw_forum] Two questions on a La2O3 slab: (1) inconsistent energy results; (2) "maximum number of steps has been reached"   noon at seas.ucla.edu
• [Pw_forum] magnetic moment with LDA+U   njudyp at sina.com
• [Pw_forum] q-point mesh in PHonon   xirainbow
• [Pw_forum] Band structure of graphene   xirainbow
• [Pw_forum] Fwd: Error when using wannier_ham.x for graphene   jiaxu yan
• [Pw_forum] Fwd: Error when using wannier_ham.x for graphene   jiaxu yan
• [Pw_forum] Error when using wannier_ham.x for graphene   jiaxu yan
• [Pw_forum] psudopotential generation   anyy zsj
• [Pw_forum] psudopotential generation   anyy zsj
• [Pw_forum] Bad termination in hybrid functional calculation   庞瑞
• [Pw_forum] integrated charge error   庞瑞
• [Pw_forum] integrated charge error   庞瑞

Last message date: Sat May 31 09:05:35 CEST 2014
Archived on: Wed Feb 28 11:11:04 CET 2018

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