pw_forum

Messages by Date

2013/02/05 [Pw_forum] Workfunction in STM calculation [email protected]
2013/02/05 [Pw_forum] question on parallelism options and scaling factor pascal boulet
2013/02/04 [Pw_forum] Problem with pseudo-potential Pt.pbe-n-van.UPF Mostafa Dadras
2013/02/03 [Pw_forum] Iron & Starting Magnetization Ben Palmer
2013/02/03 [Pw_forum] Iron & Starting Magnetization Paolo Giannozzi
2013/02/03 [Pw_forum] Iron & Starting Magnetization Ben Palmer
2013/02/02 [Pw_forum] Fermi-surface plot Paolo Giannozzi
2013/02/02 [Pw_forum] Error in routine regterg (5014): cannot allocate psi Paolo Giannozzi
2013/02/02 [Pw_forum] Error in routine regterg (5014): cannot allocate psi vijaya subramanian
2013/02/01 [Pw_forum] Question about Work Function calculation Ali KACHMAR
2013/02/01 [Pw_forum] QUESTION ABOUT PDOS Ali KACHMAR
2013/02/01 [Pw_forum] QUESTION ABOUT PDOS maryam salehi
2013/02/01 [Pw_forum] Question about Work Function calculation nima nariman
2013/02/01 [Pw_forum] Fermi-surface plot Y. L. Li
2013/01/31 [Pw_forum] Pwscf archive Ali Kachmar
2013/01/31 [Pw_forum] mode symmetry 昶棘汐
2013/01/31 [Pw_forum] gamma_only case not implemented error in bands.x Darshana Wickramaratne
2013/01/31 [Pw_forum] gamma_only case not implemented error in bands.x Ali KACHMAR
2013/01/31 [Pw_forum] gamma_only case not implemented error in bands.x Paolo Giannozzi
2013/01/31 [Pw_forum] gamma_only case not implemented error in bands.x Darshana Wickramaratne
2013/01/31 [Pw_forum] Fermi Energy Paolo Giannozzi
2013/01/31 [Pw_forum] DOS problem with MoS2 bulk Darshana Wickramaratne
2013/01/31 [Pw_forum] Fermi Energy mohaddeseh abbasnejad
2013/01/31 [Pw_forum] negative frequency in high q-mesh Wei-Bing Zhang
2013/01/31 [Pw_forum] DOS problem with MoS2 bulk Paolo Giannozzi
2013/01/31 [Pw_forum] negative frequency in high q-mesh Suza W
2013/01/31 [Pw_forum] DOS problem with MoS2 bulk Juliana Mendes
2013/01/31 [Pw_forum] negative frequency in high q-mesh Wei-Bing Zhang
2013/01/31 [Pw_forum] negative frequency in high q-mesh Wei-Bing Zhang
2013/01/31 [Pw_forum] negative frequency in high q-mesh Suza W
2013/01/31 [Pw_forum] negative frequency in high q-mesh Lorenzo Paulatto
2013/01/31 [Pw_forum] negative frequency in high q-mesh Wei-Bing Zhang
2013/01/31 [Pw_forum] negative frequency in high q-mesh Paolo Giannozzi
2013/01/30 [Pw_forum] negative frequency in high q-mesh Wei-Bing Zhang
2013/01/30 [Pw_forum] population analysis Seyed Javad Hashemifar
2013/01/30 [Pw_forum] population analysis Yusuf Zuntu
2013/01/30 [Pw_forum] question Seyed Javad Hashemifar
2013/01/30 [Pw_forum] d3.x with LSDA Sergey Nikolaev
2013/01/30 [Pw_forum] question Banafshe Noori
2013/01/30 [Pw_forum] wrong q-point in q2r.x after vc-relax Jingjie Zhang
2013/01/29 [Pw_forum] Restart electron-phonon calculation [email protected]
2013/01/29 [Pw_forum] converting UPF 2.0.1 into old versions John Chan
2013/01/29 [Pw_forum] converting UPF 2.0.1 into old versions Lorenzo Paulatto
2013/01/29 [Pw_forum] converting UPF 2.0.1 into old versions John Chan
2013/01/29 [Pw_forum] alignment of computed NMR spectra wrt the experimental one Prasenjit Ghosh
2013/01/29 [Pw_forum] error in find_mode_sym.f90 Bramha Pandey
2013/01/29 [Pw_forum] alignment of computed NMR spectra wrt the experimental one Davide Ceresoli
2013/01/29 [Pw_forum] error in find_mode_sym.f90 Giovanni Pizzi
2013/01/29 [Pw_forum] alignment of computed NMR spectra wrt the experimental one Prasenjit Ghosh
2013/01/29 [Pw_forum] Bands for Te and Se not appears in Zn2Te2Se zafar rasheed
2013/01/29 [Pw_forum] error in find_mode_sym.f90 Bramha Pandey
2013/01/29 [Pw_forum] c_bands: eigenvalues not converged (GIPAW) Kucukbenli Emine
2013/01/29 [Pw_forum] c_bands: eigenvalues not converged (GIPAW) Jarkko Vähäkangas
2013/01/29 [Pw_forum] error in find_mode_sym.f90 Andrea Dal Corso
2013/01/29 [Pw_forum] error in find_mode_sym.f90 Bramha Pandey
2013/01/28 [Pw_forum] symmetry breaking in QE and VASP Burak Himmetoglu
2013/01/28 [Pw_forum] symmetry breaking in QE and VASP Hanghui Chen
2013/01/28 [Pw_forum] davcio : error# 10 Duy Le
2013/01/28 [Pw_forum] c_bands: eigenvalues not converged (GIPAW) Kucukbenli Emine
2013/01/28 [Pw_forum] error in pw installation on cluster Paolo Giannozzi
2013/01/28 [Pw_forum] model solvent effects in QE Prasenjit Ghosh
2013/01/28 [Pw_forum] error in pw installation on cluster deepika goyal
2013/01/28 [Pw_forum] c_bands: eigenvalues not converged (GIPAW) Jarkko Vähäkangas
2013/01/27 [Pw_forum] davcio : error# 10 Shamsu Abubakar
2013/01/27 [Pw_forum] error in find_mode_sym.f90 Paolo Giannozzi
2013/01/27 [Pw_forum] error in find_mode_sym.f90 Bramha Pandey
2013/01/27 [Pw_forum] error in find_mode_sym.f90 Dal Corso Andrea
2013/01/27 [Pw_forum] bandgap calculation of insulators with direct gap Paolo Giannozzi
2013/01/27 [Pw_forum] bandgap calculation of insulators with direct gap Amin Torabi
2013/01/27 [Pw_forum] error in find_mode_sym.f90 Bramha Pandey
2013/01/27 [Pw_forum] (no subject) Seyed Javad Hashemifar
2013/01/27 [Pw_forum] (no subject) mohnish pandey
2013/01/27 [Pw_forum] (no subject) Bramha Pandey
2013/01/26 [Pw_forum] (no subject) Banafshe Noori
2013/01/26 [Pw_forum] HSE calculations Seyed Javad Hashemifar
2013/01/26 [Pw_forum] HSE calculations Caloma Trumica
2013/01/25 [Pw_forum] HSE calculations Seyed Javad Hashemifar
2013/01/25 [Pw_forum] HSE calculations Caloma Trumica
2013/01/25 [Pw_forum] Fail to predict semiconductor Iwan Darmadi
2013/01/25 [Pw_forum] Fail to predict semiconductor Iwan Darmadi
2013/01/25 [Pw_forum] Fail to predict semiconductor "José C. Conesa"
2013/01/25 [Pw_forum] Fail to predict semiconductor Giuseppe Mattioli
2013/01/24 [Pw_forum] Fail to predict semiconductor Alexey Akimov
2013/01/24 [Pw_forum] Fail to predict semiconductor Giuseppe Mattioli
2013/01/23 [Pw_forum] QW nanostructures Axel Kohlmeyer
2013/01/23 [Pw_forum] QW nanostructures mohaddeseh abbasnejad
2013/01/23 [Pw_forum] what is the relevance between the Kohn-Sham Orbital isosurface and real molecular orbitals? yavar pour azar
2013/01/23 [Pw_forum] GPU-QE Prasenjit Ghosh
2013/01/23 [Pw_forum] GPU-QE Filippo Spiga
2013/01/23 [Pw_forum] Fail to predict semiconductor Alexey Akimov
2013/01/23 [Pw_forum] Fail to predict semiconductor Iwan Darmadi
2013/01/23 [Pw_forum] Fail to predict semiconductor Giuseppe Mattioli
2013/01/23 [Pw_forum] Error in routine bands (1): gamma_only case not implemented zafar rasheed
2013/01/23 [Pw_forum] GPU-QE Prasenjit Ghosh
2013/01/23 [Pw_forum] GPU-QE Ivan Girotto
2013/01/23 [Pw_forum] Fail to predict semiconductor Jose C. Conesa
2013/01/22 [Pw_forum] Fail to predict semiconductor Iwan Darmadi
2013/01/22 [Pw_forum] GPU-QE Prasenjit Ghosh
2013/01/22 [Pw_forum] cpmd2upf.x for Norm Conserving pseudopotentials Ali KACHMAR
2013/01/22 [Pw_forum] cpmd2upf.x for Norm Conserving pseudopotentials Ali KACHMAR
2013/01/22 [Pw_forum] charge transfer Stefano Baroni
2013/01/22 [Pw_forum] charge transfer Amir hosseini
2013/01/22 [Pw_forum] Error in routine bands (1): gamma_only case not implemented Paolo Giannozzi
2013/01/22 [Pw_forum] g-tensor with ultrasoft pseudopotential "José C. Conesa"
2013/01/22 [Pw_forum] g-tensor with ultrasoft pseudopotential Jarkko Vähäkangas
2013/01/22 [Pw_forum] Error in routine bands (1): gamma_only case not implemented zafar rasheed
2013/01/22 [Pw_forum] g-tensor with ultrasoft pseudopotential Kucukbenli Emine
2013/01/22 [Pw_forum] Could anyone share a stable pseudopotential of lithium? Axel Kohlmeyer
2013/01/22 [Pw_forum] g-tensor with ultrasoft pseudopotential Jarkko Vähäkangas
2013/01/21 [Pw_forum] Could anyone share a stable pseudopotential of lithium? Johannes Moeller
2013/01/21 [Pw_forum] Hybrid functionals for GIPAW calculations Giuseppe Mattioli
2013/01/21 [Pw_forum] Hybrid functionals for GIPAW calculations Simon Binnie
2013/01/20 [Pw_forum] Could anyone share a stable pseudopotential of lithium? 高淼
2013/01/20 [Pw_forum] Pw_forum Digest, Vol 67, Issue 36 Stefano Baroni
2013/01/20 [Pw_forum] cpmd2upf.x for Norm Conserving pseudopotentials Paolo Giannozzi
2013/01/20 [Pw_forum] el-ph interaction matrix element Yuanxi Wang
2013/01/20 [Pw_forum] 5.0.1 "cannot allocate spsi" in cegterg Антон Литвиненко
2013/01/20 [Pw_forum] cpmd2upf.x for Norm Conserving pseudopotentials Ali KACHMAR
2013/01/20 [Pw_forum] cpmd2upf.x for Norm Conserving pseudopotentials Ali KACHMAR
2013/01/20 [Pw_forum] cpmd2upf.x for Norm Conserving pseudopotentials Paolo Giannozzi
2013/01/20 [Pw_forum] cpmd2upf.x for Norm Conserving pseudopotentials Paolo Giannozzi
2013/01/20 [Pw_forum] 5.0.1 "cannot allocate spsi" in cegterg Filippo Spiga
2013/01/19 [Pw_forum] cpmd2upf.x for Norm Conserving pseudopotentials Ali KACHMAR
2013/01/19 [Pw_forum] 5.0.1 "cannot allocate spsi" in cegterg Антон Литвиненко
2013/01/19 [Pw_forum] Pw_forum Digest, Vol 67, Issue 36 Daniel Wolverson
2013/01/19 [Pw_forum] 5.0.1 "cannot allocate spsi" in cegterg Filippo Spiga
2013/01/19 [Pw_forum] 5.0.1 "cannot allocate spsi" in cegterg Антон Литвиненко
2013/01/19 [Pw_forum] 5.0.1 "cannot allocate spsi" in cegterg Filippo Spiga
2013/01/19 [Pw_forum] 5.0.1 "cannot allocate spsi" in cegterg Антон Литвиненко
2013/01/19 [Pw_forum] 5.0.1 "cannot allocate spsi" in cegterg Антон Литвиненко
2013/01/19 [Pw_forum] 5.0.1 "cannot allocate spsi" in cegterg Filippo Spiga
2013/01/19 [Pw_forum] 5.0.1 "cannot allocate spsi" in cegterg Paolo Giannozzi
2013/01/19 [Pw_forum] 5.0.1 "cannot allocate spsi" in cegterg Антон Литвиненко
2013/01/19 [Pw_forum] 5.0.1 "cannot allocate spsi" in cegterg Filippo Spiga
2013/01/19 [Pw_forum] Band gap Stefano Baroni
2013/01/19 [Pw_forum] 5.0.1 "cannot allocate spsi" in cegterg Антон Литвиненко
2013/01/19 [Pw_forum] Band gap ramzi alaya
2013/01/19 [Pw_forum] Question regarding calculation for elastic constants, shear modulus and young modulus Stefano Baroni
2013/01/19 [Pw_forum] Band gap Stefano Baroni
2013/01/19 [Pw_forum] Band gap ramzi alaya
2013/01/19 [Pw_forum] Band gap ramzi alaya
2013/01/18 [Pw_forum] Question regarding calculation for elastic constants, shear modulus and young modulus bamidele ibrahim
2013/01/18 [Pw_forum] Question regarding calculation for elastic constants, shear modulus and young modulus Tram Bui
2013/01/18 [Pw_forum] Question regarding calculation for elastic constants, shear modulus and young modulus Tram Bui
2013/01/18 [Pw_forum] Question regarding calculation for elastic constants, shear modulus and young modulus Tram Bui
2013/01/18 [Pw_forum] Question regarding calculation for elastic constants, shear modulus and young modulus Ali KACHMAR
2013/01/18 [Pw_forum] Question regarding calculation for elastic constants, shear modulus and young modulus Tram Bui
2013/01/18 [Pw_forum] changing total energy due to changing ibrav Tram Bui
2013/01/18 [Pw_forum] about PbSe (rel-pz-nc.UPF) Pseudopotential from PSlibrary Nicki Frank Hinsche
2013/01/18 [Pw_forum] about PbSe (rel-pz-nc.UPF) Pseudopotential from PSlibrary zhhjin
2013/01/18 [Pw_forum] Symmetry of eigenstates in cluster geometry/single k-point Ijäs Mari
2013/01/18 [Pw_forum] Hybrid functionals for GIPAW calculations Giuseppe Mattioli
2013/01/18 [Pw_forum] Non-spin polarized starting_ns_eigenvalue Paolo Giannozzi
2013/01/18 [Pw_forum] Hybrid functionals for GIPAW calculations Stefano Baroni
2013/01/18 [Pw_forum] Hybrid functionals for GIPAW calculations Jarkko Vähäkangas
2013/01/18 [Pw_forum] Hybrid functionals for GIPAW calculations Davide Ceresoli
2013/01/18 [Pw_forum] cpmd2upf.x for Norm Conserving pseudopotentials Ali KACHMAR
2013/01/18 [Pw_forum] Hybrid functionals for GIPAW calculations Jarkko Vähäkangas
2013/01/18 [Pw_forum] cpmd2upf.x for Norm Conserving pseudopotentials Paolo Giannozzi
2013/01/18 [Pw_forum] cpmd2upf.x for Norm Conserving pseudopotentials Ali KACHMAR
2013/01/17 [Pw_forum] Non-spin polarized starting_ns_eigenvalue Iwan Darmadi
2013/01/17 [Pw_forum] ph.x: Wrong classes for C_3v David Strubbe
2013/01/17 [Pw_forum] charge density difference Peng Chen
2013/01/17 [Pw_forum] Restart phonon calculation from failed recovery file? Paolo Giannozzi
2013/01/17 [Pw_forum] charge density difference Paolo Giannozzi
2013/01/17 [Pw_forum] plan_avg.x for wavefunction squared calculation Paolo Giannozzi
2013/01/17 [Pw_forum] Symmetry of eigenstates in cluster geometry/single k-point Paolo Giannozzi
2013/01/17 [Pw_forum] Symmetry of eigenstates in cluster geometry/single k-point Ijäs Mari
2013/01/16 [Pw_forum] energy for H atom Paolo Giannozzi
2013/01/16 [Pw_forum] Relax Calculation in ZnO Duy Le
2013/01/16 [Pw_forum] changing total energy due to changing ibrav Duy Le
2013/01/16 [Pw_forum] NVIDIA GPU Test Drive, Kepler K20 accelerator available Filippo Spiga
2013/01/16 [Pw_forum] energy for H atom Helen Eisenberg
2013/01/16 [Pw_forum] changing total energy due to changing ibrav Lorenzo Paulatto
2013/01/15 [Pw_forum] ph.x: Wrong classes for C_3v Dal Corso Andrea
2013/01/15 [Pw_forum] changing total energy due to changing ibrav Tram Bui
2013/01/15 [Pw_forum] ph.x: Wrong classes for C_3v Giovanni Pizzi
2013/01/15 [Pw_forum] plan_avg.x for wavefunction squared calculation pari shok
2013/01/15 [Pw_forum] ph.x: Wrong classes for C_3v David Strubbe
2013/01/15 [Pw_forum] charge density difference Peng Chen
2013/01/14 [Pw_forum] from electrons : error # 1 Mansoureh Pashangpour
2013/01/14 [Pw_forum] harmonic instability and lattice constant karan deep
2013/01/14 [Pw_forum] kpoints.x querry Paolo Giannozzi
2013/01/14 [Pw_forum] Still need help with Tc calculation Paolo Giannozzi
2013/01/14 [Pw_forum] kpoints.x querry Nandan Tandon
2013/01/14 [Pw_forum] kpoints.x querry Paolo Giannozzi
2013/01/14 [Pw_forum] Still need help with Tc calculation [email protected]
2013/01/14 [Pw_forum] kpoints.x querry Nandan Tandon
2013/01/14 [Pw_forum] Restart phonon calculation from failed recovery file? Jia Zhang
2013/01/13 [Pw_forum] Potential problem with Li.pbe-n-van.UPF PsP Johannes Moeller
2013/01/13 [Pw_forum] Ni pseudopotential Peng Chen
2013/01/12 [Pw_forum] Relax Calculation in ZnO Yue-Wen Fang
2013/01/12 [Pw_forum] Ni pseudopotential Yue-Wen Fang
2013/01/12 [Pw_forum] setting grid size and memory management for pw scf Paolo Giannozzi
2013/01/12 [Pw_forum] setting grid size and memory management for pw scf Paolo Giannozzi
2013/01/12 [Pw_forum] Relax Calculation for ZnO Lorenzo Paulatto
2013/01/12 [Pw_forum] setting grid size and memory management for pw scf Lorenzo Paulatto
2013/01/12 [Pw_forum] setting grid size and memory management for pw scf Mike Marchywka
2013/01/11 [Pw_forum] setting grid size and memory management for pw scf Paolo Giannozzi
2013/01/11 [Pw_forum] kpoints.x querry Paolo Giannozzi