pw_forum

Messages by Date

2013/06/22 [Pw_forum] Reg: starting_magnetization Duy Le
2013/06/22 [Pw_forum] imaginary phonon frequency for different degauss Duy Le
2013/06/22 [Pw_forum] imaginary phonon frequency for different degauss Miao Gao
2013/06/22 [Pw_forum] Reg: starting_magnetization Axel Kohlmeyer
2013/06/21 [Pw_forum] Reg: starting_magnetization Peram sreenivasa reddy
2013/06/21 [Pw_forum] Mn doped ZnS in high spin configuration Bruno Camino
2013/06/21 [Pw_forum] How can I get more than one projetions for an all electron KS wave function calculation Barmparis, Georgios D.
2013/06/20 [Pw_forum] A strange problem in phonon calculation Wei-Bing Zhang
2013/06/20 [Pw_forum] A strange problem in phonon calculation Wei-Bing Zhang
2013/06/20 [Pw_forum] A strange problem in phonon calculation Wei-Bing Zhang
2013/06/20 [Pw_forum] How can I get more than one projetions for an all electron KS wave function calculation Barmparis, Georgios D.
2013/06/20 [Pw_forum] A strange problem in phonon calculation Duy Le
2013/06/20 [Pw_forum] hybrid band structure calculation Davide Tiana
2013/06/19 [Pw_forum] hybrid band structure calculation Paolo Giannozzi
2013/06/19 [Pw_forum] A strange problem in phonon calculation Paolo Giannozzi
2013/06/19 [Pw_forum] How can I get more than one projetions for an all electron KS wave function calculation Paolo Giannozzi
2013/06/19 [Pw_forum] Format of Dynamical Matrix Paolo Giannozzi
2013/06/19 [Pw_forum] What does total energy contain? xirainbow
2013/06/19 [Pw_forum] What does total energy contain? Axel Kohlmeyer
2013/06/19 [Pw_forum] What does total energy contain? Yantao Wu
2013/06/19 [Pw_forum] ElaStic is Available Rostam Golesorkhtabar
2013/06/19 [Pw_forum] hello Ha, Tran Van
2013/06/19 [Pw_forum] QMC/PWSCF announcements Mike Towler
2013/06/19 [Pw_forum] total charge Giuseppe Mattioli
2013/06/19 [Pw_forum] total charge Kamaraj M
2013/06/19 [Pw_forum] (no subject) Axel Kohlmeyer
2013/06/19 [Pw_forum] What does total energy contain? xirainbow
2013/06/18 [Pw_forum] Binding energy of an interface mohnish pandey
2013/06/18 [Pw_forum] Binding energy of an interface Tram Bui
2013/06/18 [Pw_forum] What does total energy contain? Yantao Wu
2013/06/18 [Pw_forum] (no subject) shiva mokhavat
2013/06/18 [Pw_forum] Format of Dynamical Matrix Mohsen Modaresi
2013/06/17 [Pw_forum] A strange problem in phonon calculation Wei-Bing Zhang
2013/06/17 [Pw_forum] Fwd: Raman result wrong, intensity at 0.0 cm-1 is xirainbow
2013/06/17 [Pw_forum] scf vs relax Yantao Wu
2013/06/17 [Pw_forum] How can I get more than one projetions for an all electron KS wave function calculation Barmparis, Georgios D.
2013/06/17 [Pw_forum] Fwd: Raman result wrong, intensity at 0.0 cm-1 is Yong Xue
2013/06/17 [Pw_forum] CNT unit cell vectors xirainbow
2013/06/17 [Pw_forum] hybrid band structure calculation Davide Tiana
2013/06/17 [Pw_forum] scf vs relax Axel Kohlmeyer
2013/06/17 [Pw_forum] K_points raha khalili
2013/06/17 [Pw_forum] scf vs relax Mahmoud Hammouri
2013/06/17 [Pw_forum] K_points Giuseppe Mattioli
2013/06/17 [Pw_forum] meta-gga implemented only for all-electron case Paolo Giannozzi
2013/06/17 [Pw_forum] hybrid band structure calculation Paolo Giannozzi
2013/06/17 [Pw_forum] STM code questions Paolo Giannozzi
2013/06/16 [Pw_forum] K_points raha khalili
2013/06/16 [Pw_forum] hybrid band structure calculation Davide Tiana
2013/06/15 [Pw_forum] Info regarding pseudo potential generation mayank gupta
2013/06/15 [Pw_forum] neb problem Maedeh Zahedifar
2013/06/15 [Pw_forum] STM code questions David Pullman
2013/06/15 [Pw_forum] CNT unit cell vectors Mahmoud Hammouri
2013/06/15 [Pw_forum] graphene with Li input problem Mike Marchywka
2013/06/15 [Pw_forum] phonon dispersion Axel Kohlmeyer
2013/06/15 [Pw_forum] phonon dispersion farouk boutaiba
2013/06/15 [Pw_forum] graphene with Li input problem Axel Kohlmeyer
2013/06/15 [Pw_forum] graphene with Li input problem Mike Marchywka
2013/06/15 [Pw_forum] graphene with Li input problem Axel Kohlmeyer
2013/06/15 [Pw_forum] graphene with Li input problem Paolo Giannozzi
2013/06/14 [Pw_forum] graphene with Li input problem Mike Marchywka
2013/06/14 [Pw_forum] change of crystal symmetry during vc-relax calculations with pressure saqib javed
2013/06/14 [Pw_forum] meta-gga implemented only for all-electron case Nguyen Chuong
2013/06/14 [Pw_forum] meta-gga implemented only for all-electron case Nguyen Chuong
2013/06/14 [Pw_forum] graphene with Li input problem Paolo Giannozzi
2013/06/14 [Pw_forum] Raman result wrong, intensity at 0.0 cm-1 is Yong Xue
2013/06/14 [Pw_forum] change of crystal symmetry during vc-relax calculations with pressure Paolo Giannozzi
2013/06/14 [Pw_forum] graphene with Li input problem yelena
2013/06/14 [Pw_forum] change of crystal symmetry during vc-relax calculations with pressure mohnish pandey
2013/06/14 [Pw_forum] CNT unit cell vectors xirainbow
2013/06/14 [Pw_forum] change of crystal symmetry during vc-relax calculations with pressure saqib javed
2013/06/14 [Pw_forum] change of crystal symmetry during vc-relax calculations with pressure Paolo Giannozzi
2013/06/14 [Pw_forum] CNT unit cell vectors Mahmoud Hammouri
2013/06/14 [Pw_forum] change of crystal symmetry during vc-relax calculations with pressure saqib javed
2013/06/14 [Pw_forum] electron-phonon at q=0 Paolo Giannozzi
2013/06/14 [Pw_forum] change of crystal symmetry during vc-relax calculations with pressure Paolo Giannozzi
2013/06/14 [Pw_forum] change of crystal symmetry during vc-relax calculations with pressure saqib javed
2013/06/13 [Pw_forum] electron-phonon at q=0 Burak Himmetoglu
2013/06/13 [Pw_forum] Problems with pwscf at FERMI (CINECA) Pietro Bonfa'
2013/06/12 [Pw_forum] Problems with pwscf at FERMI (CINECA) Paolo Giannozzi
2013/06/12 [Pw_forum] Problem with turbo_spectrum [email protected]
2013/06/12 [Pw_forum] Problem with turbo_spectrum Marci
2013/06/12 [Pw_forum] Problem with turbo_spectrum Michael Foster
2013/06/12 [Pw_forum] unable to compile gipaw Paolo Giannozzi
2013/06/12 [Pw_forum] Problems with pwscf at FERMI (CINECA) Paolo Giannozzi
2013/06/12 [Pw_forum] unable to compile gipaw Yong Xue
2013/06/12 [Pw_forum] Parallelization vijaya subramanian
2013/06/12 [Pw_forum] Problems with pwscf at FERMI (CINECA) Pietro Bonfa'
2013/06/12 [Pw_forum] unable to compile gipaw Abhishek Banerjee
2013/06/12 [Pw_forum] Parallelization Paolo Giannozzi
2013/06/12 [Pw_forum] Problems with pwscf at FERMI (CINECA) Paolo Giannozzi
2013/06/12 [Pw_forum] Parallelization vijaya subramanian
2013/06/12 [Pw_forum] wavefunction normalization Duy Le
2013/06/12 [Pw_forum] Parallelization Duy Le
2013/06/12 [Pw_forum] Problems with pwscf at FERMI (CINECA) Pietro Bonfa'
2013/06/12 [Pw_forum] problems with charged systems + hybrid functionals DELLACA' Valentina (CRF)
2013/06/12 [Pw_forum] fermi energy shift for different kmesh Giovanni Cantele
2013/06/12 [Pw_forum] nb less than the number of proc xiaochuan Ge
2013/06/12 [Pw_forum] fermi energy shift for different kmesh Yue-Wen Fang
2013/06/11 [Pw_forum] About XC Paolo Giannozzi
2013/06/11 [Pw_forum] Problem with Matdyn.x Hongze Xia
2013/06/11 [Pw_forum] Problem with Matdyn.x Lorenzo Paulatto
2013/06/11 [Pw_forum] About XC Mohsen Modaresi
2013/06/11 [Pw_forum] Problem with Matdyn.x Paolo Giannozzi
2013/06/11 [Pw_forum] wavefunction normalization Paolo Giannozzi
2013/06/11 [Pw_forum] Problem with Matdyn.x Hongze Xia
2013/06/11 [Pw_forum] wavefunction normalization Hongze Xia
2013/06/11 [Pw_forum] wavefunction normalization Hongze Xia
2013/06/11 [Pw_forum] Parallelization vijaya subramanian
2013/06/11 [Pw_forum] wavefunction normalization pari shok
2013/06/11 [Pw_forum] Calculation of hyperfine magnetic field Jair C. C. Freitas
2013/06/11 [Pw_forum] Magnetization in the Adsorption of Molecular O2 Paolo Giannozzi
2013/06/11 [Pw_forum] Magnetization in the Adsorption of Molecular O2 Giuseppe Mattioli
2013/06/11 [Pw_forum] Magnetization in the Adsorption of Molecular O2 Vic Bermudez
2013/06/11 [Pw_forum] Succeeded in geometry optimisation but failed in band calc. Paolo Giannozzi
2013/06/11 [Pw_forum] noncolin Paolo Giannozzi
2013/06/11 [Pw_forum] noncolin zahra vatankhah
2013/06/10 [Pw_forum] Succeeded in geometry optimisation but failed in band calc. Hongze Xia
2013/06/10 [Pw_forum] odd energy behavior for H/LiF Gisela Bocan
2013/06/10 [Pw_forum] FW: K-points Pietro Bonfa'
2013/06/10 [Pw_forum] write access problem during MPI run on the server Paolo Giannozzi
2013/06/10 [Pw_forum] write access problem during MPI run on the server Denis Davydov
2013/06/10 [Pw_forum] FW: K-points ramzi alaya
2013/06/08 [Pw_forum] (no subject) Axel Kohlmeyer
2013/06/08 [Pw_forum] (no subject) HuDa
2013/06/08 [Pw_forum] band structure, can't I use hybrid functional? xirainbow
2013/06/08 [Pw_forum] band structure, can't I use hybrid functional? Davide Tiana
2013/06/08 [Pw_forum] band structure, can't I use hybrid functional? xirainbow
2013/06/08 [Pw_forum] CECAM tutorial announcement Davide Ceresoli
2013/06/08 [Pw_forum] band structure, can't I use hybrid functional? Davide Tiana
2013/06/07 [Pw_forum] Real displacements from the complex eigenvectors Alexandr Fonari
2013/06/07 [Pw_forum] edft Anik Shrivastava
2013/06/07 [Pw_forum] 2D fermi-surface [email protected]
2013/06/06 [Pw_forum] Other ways to estimate the energy of 16 atom supercell Yantao Wu
2013/06/06 [Pw_forum] neb.x with v5.0.2 paolo paoli100
2013/06/06 [Pw_forum] RE : Noncolin vs Nspin=1 for Chromium Ben Palmer
2013/06/06 [Pw_forum] RE : Noncolin vs Nspin=1 for Chromium BARRETEAU Cyrille
2013/06/06 [Pw_forum] Noncolin vs Nspin=1 for Chromium Ben Palmer
2013/06/06 [Pw_forum] vc-relax xirainbow
2013/06/06 [Pw_forum] vc-relax Chan-Woo Lee
2013/06/06 [Pw_forum] RE : Other Cr pseudopotential options Ben Palmer
2013/06/06 [Pw_forum] vc-relax zafar rasheed
2013/06/06 [Pw_forum] QE-GPU "configure" question Paolo Giannozzi
2013/06/05 [Pw_forum] RE : Other Cr pseudopotential options BARRETEAU Cyrille
2013/06/05 [Pw_forum] QE-GPU "configure" question Christopher O'Grady
2013/06/05 [Pw_forum] Real displacements from the complex eigenvectors xirainbow
2013/06/05 [Pw_forum] Lowdin Charges Sakhrawi Taoufek
2013/06/05 [Pw_forum] Real displacements from the complex eigenvectors A F
2013/06/05 [Pw_forum] example lsda.in doesn't work Dongsheng Zhang
2013/06/05 [Pw_forum] example lsda.in doesn't work Dongsheng Zhang
2013/06/05 [Pw_forum] example lsda.in doesn't work Dongsheng Zhang
2013/06/05 [Pw_forum] atomic making a pp for chromium Paolo Giannozzi
2013/06/05 [Pw_forum] example lsda.in doesn't work Paolo Giannozzi
2013/06/05 [Pw_forum] Lowdin Charges Giuseppe Mattioli
2013/06/05 [Pw_forum] neb.x with v5.0.2 Gabriele Sclauzero
2013/06/05 [Pw_forum] Other Cr pseudopotential options Ben Palmer
2013/06/05 [Pw_forum] atomic making a pp for chromium Ben Palmer
2013/06/05 [Pw_forum] Other Cr pseudopotential options Derek Stewart
2013/06/05 [Pw_forum] example lsda.in doesn't work Dongsheng Zhang
2013/06/05 [Pw_forum] atomic making a pp for chromium Giuseppe Mattioli
2013/06/05 [Pw_forum] atomic making a pp for chromium Ben Palmer
2013/06/05 [Pw_forum] atomic making a pp for chromium Giuseppe Mattioli
2013/06/05 [Pw_forum] pwscf with spin magnetic moment and orbital magnetic moment [email protected]
2013/06/05 [Pw_forum] atomic making a pp for chromium Ben Palmer
2013/06/05 [Pw_forum] atomic making a pp for chromium Giuseppe Mattioli
2013/06/04 [Pw_forum] parallel compilation Surender
2013/06/04 [Pw_forum] atomic making a pp for chromium Ben Palmer
2013/06/04 [Pw_forum] parallel compilation Paolo Giannozzi
2013/06/04 [Pw_forum] SCF doesn't converge in charged supercell [email protected]
2013/06/04 [Pw_forum] SCF doesn't converge in charged supercell Franco Bonafé
2013/06/04 [Pw_forum] SCF doesn't converge in charged supercell [email protected]
2013/06/04 [Pw_forum] Lowdin Charges Sakhrawi Taoufek
2013/06/04 [Pw_forum] SCF doesn't converge in charged supercell Franco Bonafé
2013/06/04 [Pw_forum] Lowdin Charges Giuseppe Mattioli
2013/06/04 [Pw_forum] parallel compilation Robert Hembree
2013/06/04 [Pw_forum] vc-relax gives good result of lattice constant, but not good in cohesive energy Dongsheng Zhang
2013/06/04 [Pw_forum] parallel compilation Mahmoud Hammouri
2013/06/04 [Pw_forum] vc-relax gives good result of lattice constant, but not good in cohesive energy Dongsheng Zhang
2013/06/04 [Pw_forum] Lowdin Charges Sakhrawi Taoufek
2013/06/04 [Pw_forum] vc-relax gives good result of lattice constant, but not good in cohesive energy mohnish pandey
2013/06/04 [Pw_forum] Lowdin Charges Giuseppe Mattioli
2013/06/04 [Pw_forum] Lowdin Charges Sakhrawi Taoufek
2013/06/04 [Pw_forum] vc-relax gives good result of lattice constant, but not good in cohesive energy Dongsheng Zhang
2013/06/04 [Pw_forum] Paramagnetic system computation Евгений Пермяков
2013/06/04 [Pw_forum] neb.x with v5.0.2 Paolo Giannozzi
2013/06/03 [Pw_forum] neb.x with v5.0.2 paolo paoli100
2013/06/03 [Pw_forum] Ionic relaxation with BFGS Paolo Giannozzi
2013/06/03 [Pw_forum] Ionic relaxation with BFGS [email protected]
2013/06/03 [Pw_forum] phonon calculation Banafshe Noori
2013/06/03 [Pw_forum] (no subject) mohnish pandey
2013/06/02 [Pw_forum] (no subject) samad zare
2013/06/02 [Pw_forum] Regarding criteria for choosing values [email protected]
2013/06/02 [Pw_forum] phonon calculation xirainbow
2013/06/01 [Pw_forum] phonon calculation Banafshe Noori
2013/06/01 [Pw_forum] A few questions about MD simulations Mike Marchywka
2013/06/01 [Pw_forum] neb.x with v5.0.2 Paolo Giannozzi
2013/06/01 [Pw_forum] A few questions about MD simulations Axel Kohlmeyer
2013/06/01 [Pw_forum] A few questions about MD simulations Paolo Giannozzi
2013/06/01 [Pw_forum] A few questions about MD simulations Paolo Giannozzi
2013/06/01 [Pw_forum] A few questions about MD simulations Robert Hembree
2013/06/01 [Pw_forum] phonon calculation xirainbow