March 2010 Archives by author

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Starting: Mon Mar 1 04:09:33 CET 2010
Ending: Wed Mar 31 23:30:11 CEST 2010
Messages: 400

• [Pw_forum] Error in running GWW   Adrian
• [Pw_forum] How to generate a new PP with fractional charge?   Alexis Amezaga
• [Pw_forum] Pw_forum Digest, Vol 33, Issue 32   Alexis Amezaga
• [Pw_forum] Error in running GWW wrong data-file.xml file   Dal Corso Andrea
• [Pw_forum] Wrong oxygen mass in example 13   Dal Corso Andrea
• [Pw_forum] B3LYP: two conflicting matching values   Dal Corso Andrea
• [Pw_forum] B3LYP: two conflicting matching values   Dal Corso Andrea
• [Pw_forum] where is the "search" link in this forum   Lily Anh
• [Pw_forum] where is the "search" link in this forum   Lily Anh
• [Pw_forum] reusing converged density   Stefano Baroni
• [Pw_forum] graphene band structure graph   Stefano Baroni
• [Pw_forum] graphene band structure graph   Stefano Baroni
• [Pw_forum] lm decomposed band structure   Stefano Baroni
• [Pw_forum] How to cite Q~E   Stefano Baroni
• [Pw_forum] How to cite Q~E   Stefano Baroni
• [Pw_forum] How to cite Q~E   Stefano Baroni
• [Pw_forum] error reference   Stefano Baroni
• [Pw_forum] Tight Binding (TB) model up to n nearest neighbours   Stefano Baroni
• [Pw_forum] volume in output file.   Stefano Baroni
• [Pw_forum] one question on |psi|^2   Stefano Baroni
• [Pw_forum] internal energy   Stefano Baroni
• [Pw_forum] File Error of GIPAW module   Goranka Bilalbegovic
• [Pw_forum] Visuallization   Jan Felix Binder
• [Pw_forum] Problems with XSpectra code   Cristian Degli Esposti Boschi
• [Pw_forum] Crystal for XCrySDen   Sanda Botis
• [Pw_forum] Fortran compiler   Miguel Martinez Canales
• [Pw_forum] Fortran compiler   Miguel Martinez Canales
• [Pw_forum] graphene band structure graph   Giovanni Cantele
• [Pw_forum] Graphene--Silicon Surface(scf not converge)   Giovanni Cantele
• [Pw_forum] crystal or tpiba_b   Giovanni Cantele
• [Pw_forum] DOS of graphene   Giovanni Cantele
• [Pw_forum] calculating the cell parameters in crystals   Giovanni Cantele
• [Pw_forum] QE & Xcrysden   Giovanni Cantele
• [Pw_forum] SURFACE RECONSTRUCTION USING RELAX CALCULATION   Giovanni Cantele
• [Pw_forum] QE & Xcrysden   Giovanni Cantele
• [Pw_forum] density of states of graphene   Giovanni Cantele
• [Pw_forum] spin-polarized band structure   Giovanni Cantele
• [Pw_forum] DOS at Ef   Giovanni Cantele
• [Pw_forum] DOS at Ef   Giovanni Cantele
• [Pw_forum] nscf calculations   Giovanni Cantele
• [Pw_forum] From davcio: error #10   Davide Ceresoli
• [Pw_forum] Occupation matrix in LDA+U   Matteo Cococcioni
• [Pw_forum] Baldereschi and MP point.   Jiayu Dai
• [Pw_forum] Baldereschi and MP point.   Jiayu Dai
• [Pw_forum] volume in output file.   Jiayu Dai
• [Pw_forum] volume in output file.   Jiayu Dai
• [Pw_forum] internal energy   Jiayu Dai
• [Pw_forum] internal energy   Jiayu Dai
• [Pw_forum] internal energy   Jiayu Dai
• [Pw_forum] About the deformation potential approximation and elctron-phonon coupling   Jun Dai
• [Pw_forum] value of adir   Ihsan Erikat
• [Pw_forum] xc functional   Fang, Yuan
• [Pw_forum] functional   Fang, Yuan
• [Pw_forum] phonon dos of Fe   Fang, Yuan
• [Pw_forum] phonon dos of Fe   Fang, Yuan
• [Pw_forum] so large magnitude in phonon calculation   Fanshun-Meng
• [Pw_forum] xc functional   Andrea Ferretti
• [Pw_forum] pseudopotential for K   Prasenjit Ghosh
• [Pw_forum] pseudopotential for K   Prasenjit Ghosh
• [Pw_forum] pseudopotential for K   Prasenjit Ghosh
• [Pw_forum] Re. pseudopotential for K   Prasenjit Ghosh
• [Pw_forum] bug in data input?   Paolo Giannozzi
• [Pw_forum] Hirshfeld charges   Paolo Giannozzi
• [Pw_forum] reusing converged density   Paolo Giannozzi
• [Pw_forum] spilling parameter   Paolo Giannozzi
• [Pw_forum] defect state   Paolo Giannozzi
• [Pw_forum] about the from scale_h : error   Paolo Giannozzi
• [Pw_forum] Use of ecfixed, qcutz, q2sigma in a scf calculation following vc-relax   Paolo Giannozzi
• [Pw_forum] "Mulliken population" and dos pojections   Paolo Giannozzi
• [Pw_forum] "Mulliken population" and dos pojections   Paolo Giannozzi
• [Pw_forum] From davcio: error #10   Paolo Giannozzi
• [Pw_forum] simulations at 100 nodes   Paolo Giannozzi
• [Pw_forum] How to output the symmetry operation matrix?   Paolo Giannozzi
• [Pw_forum] From davcio: error #10   Paolo Giannozzi
• [Pw_forum] matvecd.f   Paolo Giannozzi
• [Pw_forum] matvecd.f   Paolo Giannozzi
• [Pw_forum] Pw_forum Digest, Vol 33, Issue 32   Paolo Giannozzi
• [Pw_forum] Wrong oxygen mass in example 13   Paolo Giannozzi
• [Pw_forum] Error in running GWW wrong data-file.xml file   Paolo Giannozzi
• [Pw_forum] pseudopotential for Fe and Se   Paolo Giannozzi
• [Pw_forum] Crystal for XCrySDen   Paolo Giannozzi
• [Pw_forum] vc-relax with starting_magnetization   Paolo Giannozzi
• [Pw_forum] where is the "search" link in this forum   Paolo Giannozzi
• [Pw_forum] Fortran compiler   Paolo Giannozzi
• [Pw_forum] about charged defects in supercell calculations   Paolo Giannozzi
• [Pw_forum] where is the "search" link in this forum   Paolo Giannozzi
• [Pw_forum] AMD Open64 Compiler Suite   Paolo Giannozzi
• [Pw_forum] AMD Open64 Compiler Suite   Paolo Giannozzi
• [Pw_forum] Problem with raman calculations   Paolo Giannozzi
• [Pw_forum] flow-chart in PWSCF   Paolo Giannozzi
• [Pw_forum] lattice constant from unit cell vs. from supercell   Paolo Giannozzi
• [Pw_forum] Fortran compiler   Paolo Giannozzi
• [Pw_forum] functional   Paolo Giannozzi
• [Pw_forum] so large magnitude in phonon calculation   Paolo Giannozzi
• [Pw_forum] one question on |psi|^2   Paolo Giannozzi
• [Pw_forum] pw.x generates duplicate k-points in scf mode   Paolo Giannozzi
• [Pw_forum] one question on |psi|^2   Paolo Giannozzi
• [Pw_forum] one question on |psi|^2   Paolo Giannozzi
• [Pw_forum] graph of band structure of bi layer graphene   Paolo Giannozzi
• [Pw_forum] phonon dispersion for graphene   Paolo Giannozzi
• [Pw_forum] Symmetry problem in Ge and phonon calculation problem in InP   Paolo Giannozzi
• [Pw_forum] problems with Ta2O5 compound   Paolo Giannozzi
• [Pw_forum] hi   Paolo Giannozzi
• [Pw_forum] phonon dispersion for graphene   Paolo Giannozzi
• [Pw_forum] l,lm decomposed density of state   Gianluca Giovannetti
• [Pw_forum] occupancies d state from occupation matrix.   Gianluca Giovannetti
• [Pw_forum] l,lm decomposed density of state   Gianluca Giovannetti
• [Pw_forum] lm decomposed band structure   Gianluca Giovannetti
• [Pw_forum] pseudopotential for Fe and Se   Gianluca Giovannetti
• [Pw_forum] pseudopotential for Fe and Se   Gianluca Giovannetti
• [Pw_forum] error reference   Stefano de Gironcoli
• [Pw_forum] about Ueff in LDA+U calculation   Stefano de Gironcoli
• [Pw_forum] about Ueff in LDA+U calculation   Stefano de Gironcoli
• [Pw_forum] Baldereschi and MP point.   Stefano de Gironcoli
• [Pw_forum] Baldereschi and MP point.   Stefano de Gironcoli
• [Pw_forum] lattice constant from unit cell vs. from supercell   Stefano de Gironcoli
• [Pw_forum] Orthogonalization   Stefano de Gironcoli
• [Pw_forum] volume in output file.   Stefano de Gironcoli
• [Pw_forum] so large magnitude in phonon calculation   Stefano de Gironcoli
• [Pw_forum] Symmetry problem in Ge and phonon calculation problem in InP   Stefano de Gironcoli
• [Pw_forum] Fortran compiler   Henning Glawe
• [Pw_forum] "Mulliken population" and dos pojections   Roberto Guerra
• [Pw_forum] Wrong oxygen mass in example 13   Dan Michael Olsen Heggø
• [Pw_forum] plotproj   Rafael Julian Gonzalez Hernandez
• [Pw_forum] From davcio: error #10   Patrick Holvey
• [Pw_forum] From davcio: error #10   Patrick Holvey
• [Pw_forum] From davcio: error #10   Patrick Holvey
• [Pw_forum] From davcio: error #10   Patrick Holvey
• [Pw_forum] From davcio: error #10   Patrick Holvey
• [Pw_forum] Orthogonalization   Jiri Houska
• [Pw_forum] File Error of GIPAW module   Bingwen Hu
• [Pw_forum] File Error of GIPAW module   Bingwen Hu
• [Pw_forum] File Error of GIPAW module   Bingwen Hu
• [Pw_forum] volume in output file.   Mighfar Imam
• [Pw_forum] Phonon plotting utility   Eyvaz Isaev
• [Pw_forum] from set_irr : error # 2   Eyvaz Isaev
• [Pw_forum] source of error   Eyvaz Isaev
• [Pw_forum] problems with Ta2O5 compound   Maxim Ivanov
• [Pw_forum] GIPAW   Ary Junior
• [Pw_forum] lattice constant from unit cell vs. from supercell   Chad Junkermeier
• [Pw_forum] lattice constant from unit cell vs. from supercell   Chad Junkermeier
• [Pw_forum] lattice constant from unit cell vs. from supercell   Chad Junkermeier
• [Pw_forum] too many bands are not converged   Chad Junkermeier
• [Pw_forum] too many bands are not converged   Chad Junkermeier
• [Pw_forum] hi   Thaneshwor Kaloni
• [Pw_forum] hi   Thaneshwor Kaloni
• [Pw_forum] Use of ecfixed, qcutz, q2sigma in a scf calculation following vc-relax   Amandeep Kaur
• [Pw_forum] Use of ecfixed, qcutz, q2sigma in a scf calculation following vc-relax   Amandeep Kaur
• [Pw_forum] Use of ecfixed, qcutz, q2sigma in a scf calculation following vc-relax   Amandeep Kaur
• [Pw_forum] phonon calculation for silicon   Amandeep Kaur
• [Pw_forum] Symmetry problem in Ge and phonon calculation problem in InP   Ashutosh Kumar
• [Pw_forum] Symmetry problem in Ge and phonon calculation problem in InP   Ashutosh Kumar
• [Pw_forum] lm decomposed band structure   Duy Le
• [Pw_forum] lm decomposed band structure   Duy Le
• [Pw_forum] lm decomposed band structure   Duy Le
• [Pw_forum] simulations at 100 nodes   Duy Le
• [Pw_forum] SURFACE RECONSTRUCTION USING RELAX CALCULATION   Duy Le
• [Pw_forum] SURFACE RECONSTRUCTION USING RELAX CALCULATION   Duy Le
• [Pw_forum] DOS of graphene   Duy Le
• [Pw_forum] DOS of graphene   Duy Le
• [Pw_forum] lattice constant from unit cell vs. from supercell   Duy Le
• [Pw_forum] Drawing 2D plane using XCRYSDEN   Jibiao Li
• [Pw_forum] Running Example 01 (Parallel Running on a single PC with 3 cores, AMD, LAM-MPI)   O. Baris Malcioglu
• [Pw_forum] On the use of Quantum Espresso on GPUs   O. Baris Malcioglu
• [Pw_forum] calculating the cell parameters in crystals   O. Baris Malcioglu
• [Pw_forum] AMD Open64 Compiler Suite   O. Baris Malcioglu
• [Pw_forum] internal energy   O. Baris Malcioglu
• [Pw_forum] Re. pseudopotential for K   Miguel Martínez
• [Pw_forum] w90: existing...non symmetric k points neighbours   Nicola Marzari
• [Pw_forum] Baldereschi and MP point.   Nicola Marzari
• [Pw_forum] defect state   Giuseppe Mattioli
• [Pw_forum] core wavefunction in xspectra calculations   Giuseppe Mattioli
• [Pw_forum] LDA+U calculations in CP.x   Giuseppe Mattioli
• [Pw_forum] Problem with raman calculations   Merlin Meheut
• [Pw_forum] phonon dos of Fe   Michael Mehl
• [Pw_forum] pw.x generates duplicate k-points in scf mode   Mike Mehl
• [Pw_forum] from card_kpoints : error # 1   Elie Moujaes
• [Pw_forum] from card_kpoints : error # 1   Elie Moujaes
• [Pw_forum] from card_kpoints : error # 1   Elie Moujaes
• [Pw_forum] from card_kpoints : error # 1   Elie Moujaes
• [Pw_forum] cannot open ps file in Ghostscript   Elie Moujaes
• [Pw_forum] graphene band structure graph   Elie Moujaes
• [Pw_forum] graphene band structure graph   Elie Moujaes
• [Pw_forum] graphene band structure graph   Elie Moujaes
• [Pw_forum] crystal or tpiba_b   Elie Moujaes
• [Pw_forum] crystal or tpiba_b   Elie Moujaes
• [Pw_forum] Graphene band structure   Elie Moujaes
• [Pw_forum] Graphene band structure   Elie Moujaes
• [Pw_forum] DOS for graphene using plot_num=3   Elie Moujaes
• [Pw_forum] Graphene band structure   Elie Moujaes
• [Pw_forum] (no subject)   Elie Moujaes
• [Pw_forum] Shifting x axis using gnuplot   Elie Moujaes
• [Pw_forum] calculating the cell parameters in crystals   Elie Moujaes
• [Pw_forum] DOS of graphene   Elie Moujaes
• [Pw_forum] DOS of graphene   Elie Moujaes
• [Pw_forum] density of states of graphene   Elie Moujaes
• [Pw_forum] density of states of graphene   Elie Moujaes
• [Pw_forum] DOS of graphene   Elie Moujaes
• [Pw_forum] Crystal for XCrySDen   Elie Moujaes
• [Pw_forum] .WIN file structure   Elie Moujaes
• [Pw_forum] .WIN file structure   Elie Moujaes
• [Pw_forum] error while configuring W90 on pwscf   Elie Moujaes
• [Pw_forum] W90 error: too many projections defined/k_points   Elie Moujaes
• [Pw_forum] W90 error: too many projections defined/k_points   Elie Moujaes
• [Pw_forum] w90: existing...non symmetric k points neighbours   Elie Moujaes
• [Pw_forum] Tight Binding (TB) model up to n nearest neighbours   Elie Moujaes
• [Pw_forum] band structure of bi layer graphene   Elie Moujaes
• [Pw_forum] graph of band structure of bi layer graphene   Elie Moujaes
• [Pw_forum] graph of band structure of bi layer graphene   Elie Moujaes
• [Pw_forum] Input to calculate band structure of bi layer graphene   Elie Moujaes
• [Pw_forum] phonon dispersion for graphene   Elie Moujaes
• [Pw_forum] phonon dispersion for graphene   Elie Moujaes
• [Pw_forum] phonon dispersion for graphene   Elie Moujaes
• [Pw_forum] phonon dispersion for graphene   Elie Moujaes
• [Pw_forum] magnesium diboride   Nicholas Muthaka
• [Pw_forum] Fw: magnesium diboride   Nicholas Muthaka
• [Pw_forum] Running Example 01 (Parallel Running on a single PC with 3 cores, AMD, LAM-MPI)   Masoud Nahali
• [Pw_forum] calculating the cell parameters in crystals   Masoud Nahali
• [Pw_forum] 'Relax' variable   Masoud Nahali
• [Pw_forum] AMD Open64 Compiler Suite   Masoud Nahali
• [Pw_forum] pw.x diagonalization (DSYGV*) failed   Carlo Nervi
• [Pw_forum] pw.x diagonalization (DSYGV*) failed   Carlo Nervi
• [Pw_forum] AMD Open64 Compiler Suite   Carlo Nervi
• [Pw_forum] AMD Open64 Compiler Suite   Carlo Nervi
• [Pw_forum] GIPAW   Carlo Nervi
• [Pw_forum] (no subject)   Carlo Nervi
• [Pw_forum] B3LYP: two conflicting matching values   Carlo Nervi
• [Pw_forum] B3LYP: two conflicting matching values   Carlo Nervi
• [Pw_forum] B3LYP: two conflicting matching values   Carlo Nervi
• [Pw_forum] B3LYP: two conflicting matching values   Carlo Nervi
• [Pw_forum] Running Example 01 (Parallel Running on a single PC with 3 cores, AMD, LAM-MPI)   Ngoc Linh Nguyen
• [Pw_forum] about the from scale_h : error   Ngoc Linh Nguyen
• [Pw_forum] Use of ecfixed, qcutz, q2sigma in a scf calculation following vc-relax   Ngoc Linh Nguyen
• [Pw_forum] cannot open ps file in Ghostscript   Ngoc Linh Nguyen
• [Pw_forum] l,lm decomposed density of state   Ngoc Linh Nguyen
• [Pw_forum] Graphene band structure   Ngoc Linh Nguyen
• [Pw_forum] How to get the electrical potential of each atom   Ngoc Linh Nguyen
• [Pw_forum] How to get the electrical potential of each atom   Ngoc Linh Nguyen
• [Pw_forum] calculation which will result in the change of the supercell symmetry   Ngoc Linh Nguyen
• [Pw_forum] DOS for graphene using plot_num=3   Ngoc Linh Nguyen
• [Pw_forum] simulations at 100 nodes   Ngoc Linh Nguyen
• [Pw_forum] About supercell App.   Ngoc Linh Nguyen
• [Pw_forum] QE & Xcrysden   Ngoc Linh Nguyen
• [Pw_forum] SURFACE RECONSTRUCTION USING RELAX CALCULATION   Ngoc Linh Nguyen
• [Pw_forum] QE & Xcrysden   Ngoc Linh Nguyen
• [Pw_forum] SURFACE RECONSTRUCTION USING RELAX CALCULATION   Ngoc Linh Nguyen
• [Pw_forum] plotproj   Ngoc Linh Nguyen
• [Pw_forum] plotproj   Ngoc Linh Nguyen
• [Pw_forum] error while configuring W90 on pwscf   Ngoc Linh Nguyen
• [Pw_forum] Fortran compiler   Ngoc Linh Nguyen
• [Pw_forum] where is the "search" link in this forum   Ngoc Linh Nguyen
• [Pw_forum] file not converging   Ngoc Linh Nguyen
• [Pw_forum] source of error   Ngoc Linh Nguyen
• [Pw_forum] source of error   Ngoc Linh Nguyen
• [Pw_forum] source of error   Ngoc Linh Nguyen
• [Pw_forum] vc-relax   Ngoc Linh Nguyen
• [Pw_forum] GWW-WANNIER part   Ngoc Linh Nguyen
• [Pw_forum] too many bands are not converged   Ngoc Linh Nguyen
• [Pw_forum] DOS at Ef   Ngoc Linh Nguyen
• [Pw_forum] flow-chart in PWSCF   Ngoc Linh Nguyen
• [Pw_forum] value of adir   Ngoc Linh Nguyen
• [Pw_forum] hi   Ngoc Linh Nguyen
• [Pw_forum] phonon dispersion for graphene   Ngoc Linh Nguyen
• [Pw_forum] from set_irr : error # 2   Payam Norouzzadeh
• [Pw_forum] procedure for stopping jobs by prefix.EXIT file   Payam Norouzzadeh
• [Pw_forum] "Mulliken population" and dos pojections   P.Canepa
• [Pw_forum] from card_kpoints : error # 1   Lorenzo Paulatto
• [Pw_forum] from card_kpoints : error # 1   Lorenzo Paulatto
• [Pw_forum] Generate pseudopotential for Sb   Lorenzo Paulatto
• [Pw_forum] about the from scale_h : error   Lorenzo Paulatto
• [Pw_forum] about the from scale_h : error   Lorenzo Paulatto
• [Pw_forum] about the from scale_h : error   Lorenzo Paulatto
• [Pw_forum] about the from scale_h : error   Lorenzo Paulatto
• [Pw_forum] Generate pseudopotential for Sb   Lorenzo Paulatto
• [Pw_forum] Generate pseudopotential for Sb   Lorenzo Paulatto
• [Pw_forum] Shifting x axis using gnuplot   Lorenzo Paulatto
• [Pw_forum] How to generate a new PP with fractional charge?   Lorenzo Paulatto
• [Pw_forum] 'Relax' variable   Lorenzo Paulatto
• [Pw_forum] QE & Xcrysden   Lorenzo Paulatto
• [Pw_forum] pw.x diagonalization (DSYGV*) failed   Lorenzo Paulatto
• [Pw_forum] pw.x diagonalization (DSYGV*) failed   Lorenzo Paulatto
• [Pw_forum] W90 error: too many projections defined/k_points   Lorenzo Paulatto
• [Pw_forum] Fortran compiler   Lorenzo Paulatto
• [Pw_forum] where is the "search" link in this forum   Lorenzo Paulatto
• [Pw_forum] DOS at Ef   Lorenzo Paulatto
• [Pw_forum] B3LYP: two conflicting matching values   Lorenzo Paulatto
• [Pw_forum] QE & Xcrysden   Sebastijan Peljhan
• [Pw_forum] Drawing 2D plane using XCRYSDEN   Bipul Rakshit
• [Pw_forum] flow-chart in PWSCF   S. K. S.
• [Pw_forum] flow-chart in PWSCF   S. K. S.
• [Pw_forum] PP generation for specific exchange and correlation   Keitel Cervantes Salguero
• [Pw_forum] PP generation for specific exchange and correlation   Keitel Cervantes Salguero
• [Pw_forum] spilling parameter   Gabriele Sclauzero
• [Pw_forum] lm decomposed band structure   Gabriele Sclauzero
• [Pw_forum] lm decomposed band structure   Gabriele Sclauzero
• [Pw_forum] How to output the symmetry operation matrix?   Gabriele Sclauzero
• [Pw_forum] .WIN file structure   Gabriele Sclauzero
• [Pw_forum] w90: existing...non symmetric k points neighbours   Gabriele Sclauzero
• [Pw_forum] DOS at Ef   Gabriele Sclauzero
• [Pw_forum] procedure for stopping jobs by prefix.EXIT file   Gabriele Sclauzero
• [Pw_forum] (no subject)   Gabriele Sclauzero
• [Pw_forum] DOS at Ef   Olga Sedelnikova
• [Pw_forum] File Error of GIPAW module   Ari P Seitsonen
• [Pw_forum] Phonon calculations - separating modes   Sheena Shah
• [Pw_forum] Phonon calculations - separating modes   Sheena Shah
• [Pw_forum] spilling parameter   Dimpy Sharma
• [Pw_forum] simulations at 100 nodes   Dimpy Sharma
• [Pw_forum] nscf calculations   Dimpy Sharma
• [Pw_forum] about xcrysden   Shaptrishi Sharma
• [Pw_forum] reusing converged density   Luke Shulenburger
• [Pw_forum] LDA+U calculations in CP.x   Patrick Sit
• [Pw_forum] Sound velocity calculation   Pavel B Sorokin
• [Pw_forum] Sound velocity calculation   Pavel B Sorokin
• [Pw_forum] Input to calculate band structure of bi layer graphene   Pavel B Sorokin
• [Pw_forum] Graphene band structure   Derek Stewart
• [Pw_forum] matvecd.f   Antonio Tilocca
• [Pw_forum] On the use of Quantum Espresso on GPUs   Hande Ustunel
• [Pw_forum] Generate pseudopotential for Sb   Vo, Trinh (388C)
• [Pw_forum] Generate pseudopotential for Sb   Vo, Trinh (388C)
• [Pw_forum] Generate pseudopotential for Sb   Vo, Trinh (388C)
• [Pw_forum] Generate pseudopotential for Sb   Vo, Trinh (388C)
• [Pw_forum] Fortran compiler   Vo, Trinh (388C)
• [Pw_forum] Fortran compiler   Vo, Trinh (388C)
• [Pw_forum] Fortran compiler   Vo, Trinh (388C)
• [Pw_forum] Pseudopotential for Lathanides   Vo, Trinh (388C)
• [Pw_forum] Phonon calculations - separating modes   Vo, Trinh (388C)
• [Pw_forum] Sorry for mis-sending an email   Vo, Trinh (388C)
• [Pw_forum] vc-relax with starting_magnetization   Bryan M. Wong
• [Pw_forum] about the from scale_h : error   Wei Zhou
• [Pw_forum] about the from scale_h : error   Wei Zhou
• [Pw_forum] about the from scale_h : error   Wei Zhou
• [Pw_forum] about the from scale_h : error   Wei Zhou
• [Pw_forum] about the from scale_h : error   Wei Zhou
• [Pw_forum] about the from scale_h : error   Wei Zhou
• [Pw_forum] the code for pwscf to castep   Wei Zhou
• [Pw_forum] projector for local channel in ultrasoft pseudopotential   asubedi
• [Pw_forum] from card_kpoints : error # 1   udayagiri sai babu
• [Pw_forum] vc-relax   udayagiri sai babu
• [Pw_forum] How to cite Q~E   marsamos at democritos.it
• [Pw_forum] How to cite Q~E   marsamos at democritos.it
• [Pw_forum] defect state   marsamos at democritos.it
• [Pw_forum] GIPAW   marsamos at democritos.it
• [Pw_forum] GIPAW   marsamos at democritos.it
• [Pw_forum] PLUMED plug-in for quantum ESPRESSO available   marsamos at democritos.it
• [Pw_forum] DOS of graphene   alexandra.carvalho at epfl.ch
• [Pw_forum] Error in running GWW wrong data-file.xml file   yukihiro_okuno at fujifilm.co.jp
• [Pw_forum] Error in running GWW wrong data-file.xml file   yukihiro_okuno at fujifilm.co.jp
• [Pw_forum] Error of GWW in running head.x   yukihiro_okuno at fujifilm.co.jp
• [Pw_forum] Antiferromagnetic coupling between vacancies in a III-V ZB semiconductor   ilyes hamdi
• [Pw_forum] lattice constant from unit cell vs. from supercell   elbuesta at icqmail.com
• [Pw_forum] Occupation matrix in LDA+U   elbuesta at icqmail.com
• [Pw_forum] Occupation matrix in LDA+U   elbuesta at icqmail.com
• [Pw_forum] about magnetic moment in projwfc.x   saqib javaid
• [Pw_forum] file not converging   kajal jindal
• [Pw_forum] example15   ali kazempour
• [Pw_forum] source of error   ali kazempour
• [Pw_forum] source of error   ali kazempour
• [Pw_forum] source of error   ali kazempour
• [Pw_forum] error reference   yaldaa kh
• [Pw_forum] spin-polarized band structure   seunghwan lee
• [Pw_forum] How to cite Q~E   vega lew
• [Pw_forum] How to cite Q~E   vega lew
• [Pw_forum] How to cite Q~E   vega lew
• [Pw_forum] graphene band structure graph   lfhuang
• [Pw_forum] Graphene band structure   lfhuang
• [Pw_forum] Graphene band structure   lfhuang
• [Pw_forum] about charged defects in supercell calculations   lfhuang
• [Pw_forum] one question on |psi|^2   lfhuang
• [Pw_forum] one question on |psi|^2   lfhuang
• [Pw_forum] Sound velocity calculation   lfhuang
• [Pw_forum] one question on |psi|^2   lfhuang
• [Pw_forum] one question on |psi|^2   lfhuang
• [Pw_forum] SURFACE RECONSTRUCTION USING RELAX CALCULATION   giuseppe.mattioli at mlib.ism.cnr.it
• [Pw_forum] About supercell App.   mohsen modaresi
• [Pw_forum] DOS of graphene   mohsen modaresi
• [Pw_forum] QE & Xcrysden   naphtaly moro
• [Pw_forum] QE & Xcrysden   naphtaly moro
• [Pw_forum] (no subject)   sylvia mueni
• [Pw_forum] calculation which will result in the change of the supercell symmetry   mohnish pandey
• [Pw_forum] calculating the cell parameters in crystals   mohnish pandey
• [Pw_forum] SURFACE RECONSTRUCTION USING RELAX CALCULATION   mohnish pandey
• [Pw_forum] SURFACE RECONSTRUCTION USING RELAX CALCULATION   mohnish pandey
• [Pw_forum] phonon calculation for silicon   mohnish pandey
• [Pw_forum] phonon calculation for silicon   mohnish pandey
• [Pw_forum] about charged defects in supercell calculations   patriot pershing
• [Pw_forum] about Ueff in LDA+U calculation   patriot pershing
• [Pw_forum] about Ueff in LDA+U calculation   patriot pershing
• [Pw_forum] defect state   kazempoor at ph.iut.ac.ir
• [Pw_forum] n_gauss in GWW   kazempoor at ph.iut.ac.ir
• [Pw_forum] GWW in wannier part   kazempoor at ph.iut.ac.ir
• [Pw_forum] raman conversion of tensor to intensity(spectra)   kazempoor at ph.iut.ac.ir
• [Pw_forum] GWW-WANNIER part   kazempoor at ph.iut.ac.ir
• [Pw_forum] Graphene--Silicon Surface(scf not converge)   wulilixiangguo at sina.com
• [Pw_forum] 回复：Re: Graphene--Silicon Surface(scf not converge)   wulilixiangguo at sina.com
• [Pw_forum] Re. pseudopotential for K   shoutian sun
• [Pw_forum] How to get the electrical potential of each atom   wujianchun
• [Pw_forum] How to get the electrical potential of each atom   wujianchun
• [Pw_forum] How to get the electrical potential of each atom   wujianchun
• [Pw_forum] How to output the symmetry operation matrix?   ruizhi zhang
• [Pw_forum] (no subject)   Сергей Николаев

Last message date: Wed Mar 31 23:30:11 CEST 2010
Archived on: Wed Feb 28 11:05:37 CET 2018

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