November 2013 Archives by date

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Starting: Fri Nov 1 00:16:16 CET 2013
Ending: Sat Nov 30 20:57:34 CET 2013
Messages: 207

• [Pw_forum] unstable bcc phase in titanium   Jiayi Yan
• [Pw_forum] Calculation of U for Fe co-existing in two different oxidation state   Prasenjit Ghosh
• [Pw_forum] Fwd: Query in conductance calculation   N H Joshi
• [Pw_forum] Calculation of U for Fe co-existing in two different oxidation state   Matteo Cococcioni
• [Pw_forum] Calculation of U for Fe co-existing in two different oxidation state   Prasenjit Ghosh
• [Pw_forum] guidance request   ehsan targholi
• [Pw_forum] Calculation of U for Fe co-existing in two different oxidation state   Nicola Marzari
• [Pw_forum] format of ph.x input file   周健
• [Pw_forum] Electron band eigenvector   pourya ir
• [Pw_forum] Issues with Phonons   Thierry Tsafack
• [Pw_forum] elastic constant of graphene through the ELASTIC code and QE   victoir victoir
• [Pw_forum] error from q2r.x   feng.zimin at ireq.ca
• [Pw_forum] elastic constant of graphene through the ELASTIC code and QE   xirainbow
• [Pw_forum] Orthogonality of wavefunctions   Paolo Giannozzi
• [Pw_forum] Orthogonality of wavefunctions   Paolo Giannozzi
• [Pw_forum] Orthogonality of wavefunctions   Zbigniew Koziol
• [Pw_forum] Issues with Phonons   Hua Bao
• [Pw_forum] Orthogonality of wavefunctions   Hua Bao
• [Pw_forum] problem with supercell   Halima Zaari
• [Pw_forum] NaN values in QHA.out file   henry odhiambo
• [Pw_forum] problem with supercell   Lorenzo Paulatto
• [Pw_forum] NaN values in QHA.out file   Peram sreenivasa reddy
• [Pw_forum] problem with supercell   Giuseppe Mattioli
• [Pw_forum] guidance request   Hadi Arefi
• [Pw_forum] linking quantum espresso with ACML library   Filippo Spiga
• [Pw_forum] Looking for testers for Q-E windows binaries   Axel Kohlmeyer
• [Pw_forum] Advanced Workshop for Scientific Software Package Development @ ICTP in March 2014   Axel Kohlmeyer
• [Pw_forum] Phonon density of state calculation   farid taherkhani
• [Pw_forum] ground state structure calculation -reg.,   Suresh A
• [Pw_forum] ground state structure calculation -reg.,   Giuseppe Mattioli
• [Pw_forum] ground state structure calculation -reg.,   Savaş
• [Pw_forum] ground state structure calculation -reg.,   Savaş
• [Pw_forum] ground state structure calculation -reg.,   Emine Kucukbenli
• [Pw_forum] Convergence NOT achieved after 100 iterations   okoyecmi at yahoo.com
• [Pw_forum] Convergence NOT achieved after 100 iterations   stefano de gironcoli
• [Pw_forum] Question on spin-polarized calculation   Marcos Veríssimo Alves
• [Pw_forum] Question on spin-polarized calculation   Giuseppe Mattioli
• [Pw_forum] Question on spin-polarized calculation   Marcos Veríssimo Alves
• [Pw_forum] Operating system error: Cannot allocate memory   Chan, Eric
• [Pw_forum] unstable bcc phase in titanium   Uri Argaman
• [Pw_forum] Operating system error: Cannot allocate memory   Lorenzo Paulatto
• [Pw_forum] Operating system error: Cannot allocate memory   Axel Kohlmeyer
• [Pw_forum] Hybrid MPI OpenMP   Ben Palmer
• [Pw_forum] problem with thin film   Halima Zaari
• [Pw_forum] Convergence not achieved after 100 iterations   Chukwuemeka Okoye
• [Pw_forum] Convergence not achieved after 100 iterations   Giovanni Cantele
• [Pw_forum] unstable bcc phase in titanium   Jiayi Yan
• [Pw_forum] Reply: ground state structure calculation -reg.,   Suresh A
• [Pw_forum] Convergence not achieved after 100 iterations   Axel Kohlmeyer
• [Pw_forum] Dispersion correction issue   Michael Fischer
• [Pw_forum] Convergence not achieved after 100 iterations   stefano de gironcoli
• [Pw_forum] Dispersion correction issue   Martin Andersson
• [Pw_forum] Hybrid MPI/OpenMPI   Ben Palmer
• [Pw_forum] Dispersion correction issue   Michael Fischer
• [Pw_forum] Reply: ground state structure calculation -reg.,   Savaş
• [Pw_forum] constant error message w/ pw2wannier90.x   JOHN BREHM
• [Pw_forum] Work function and void level using exchange-correlation potential   MARCO.PIVIDORI at phd.units.it
• [Pw_forum] reading waveplane   pourya ir
• [Pw_forum] Work function and void level using exchange-correlation potential   stefano de gironcoli
• [Pw_forum] constant error message w/ pw2wannier90.x   Paolo Giannozzi
• [Pw_forum] Questions about pwscf: Pseudo pp choice and spin polarized calculation   life related
• [Pw_forum] Literature of Si and Li Band gaps and energy densities   Mitul Mundra
• [Pw_forum] Hybrid MPI/OpenMPI   Ivan Girotto
• [Pw_forum] Hybrid MPI/OpenMPI   Axel Kohlmeyer
• [Pw_forum] (no subject)   toktam morshedlo
• [Pw_forum] vc-relax calculation   ehsan targholi
• [Pw_forum] Hybrid MPI/OpenMPI   Ben Palmer
• [Pw_forum] vc-relax calculation   Sanjeev Gupta
• [Pw_forum] vc-relax calculation   Julen Larrucea
• [Pw_forum] charged systems at a special electrode potential   Alex Granov
• [Pw_forum] Error while ESM calculation   Olga Sedelnikova
• [Pw_forum] E-V Curve   Anik Shrivastava
• [Pw_forum] E-V Curve   Bramha Pandey
• [Pw_forum] GDIR in Berry phase calculation   Caloma Trumica
• [Pw_forum] GDIR in Berry phase calculation   Paolo Giannozzi
• [Pw_forum] Plotband.x Error   JdGa The Pro
• [Pw_forum] sequential execution error with bands and dos   Ning Shen
• [Pw_forum] sequential execution error with bands and dos   Lorenzo Paulatto
• [Pw_forum] sequential execution error with bands and dos   Lorenzo Paulatto
• [Pw_forum] Plotband.x Error   Muthu V
• [Pw_forum] ground state structure calculation -reg.   Suresh A
• [Pw_forum] ground state structure calculation -reg.   Savaş
• [Pw_forum] ground state structure calculation -reg.   Savaş
• [Pw_forum] charged systems at a special electrode potential   yavar pour azar
• [Pw_forum] Problem when generating Wannier functions using mixed non-relativistic and full relativistic PP   Xiaolong Zhang
• [Pw_forum] Occupation tag for isolated atom for a magnetic system   Mudra Dave
• [Pw_forum] kpt grid not Monkhorst-Pack   Amir hossein
• [Pw_forum] Au (111) Surface Energy   Jack Davis
• [Pw_forum] Regarding K-Grid in electron phonon calculations   Kondaiah Samudrala
• [Pw_forum] Au (111) Surface Energy   Giovanni Cantele
• [Pw_forum] Au (111) Surface Energy   Jack Davis
• [Pw_forum] how to get one-electron kinetic energy for each orbit   张珅
• [Pw_forum] Au (111) Surface Energy   Ari P Seitsonen
• [Pw_forum] Au (111) Surface Energy   Yun Wang
• [Pw_forum] problem with monolayer   Halima Zaari
• [Pw_forum] problem with monolayer   Pietro Bonfa'
• [Pw_forum] how to get one-electron kinetic energy for each orbit   Lorenzo Paulatto
• [Pw_forum] problem with monolayer   ehsan targholi
• [Pw_forum] problem with relax the internal atomic position of the structure   Bramha Pandey
• [Pw_forum] k grid points in the calculations of electron-phonon interaction coefficients   Caloma Trumica
• [Pw_forum] Fw: about Elishberg function   toktam morshedlo
• [Pw_forum] k grid points in the calculations of electron-phonon interaction coefficients   Lorenzo Paulatto
• [Pw_forum] how to get one-electron kinetic energy for each orbit   张珅
• [Pw_forum] Imaginary Frequency   Myungchul Jung
• [Pw_forum] Error in reading namelists   Mitul Mundra
• [Pw_forum] virtual.x and VCA problem   Yue-Wen Fang
• [Pw_forum] virtual.x and VCA problem   Paolo Giannozzi
• [Pw_forum] Error in reading namelists   Paolo Giannozzi
• [Pw_forum] Fw: about Elishberg function   Paolo Giannozzi
• [Pw_forum] Imaginary Frequency   Paolo Giannozzi
• [Pw_forum] Error in reading namelists   Mitul Mundra
• [Pw_forum] Au (111) Surface Energy   Jack Davis
• [Pw_forum] Fwd: Energy of one metal atom   Abhishek Mishra
• [Pw_forum] Au (111) Surface Energy   Nicola Marzari
• [Pw_forum] TPSS Pseudopotentials, too many bands are not converged   Kayahan Saritas
• [Pw_forum] thin film   Halima Zaari
• [Pw_forum] Plotband.x error   JdGa The Pro
• [Pw_forum] thin film   ehsan targholi
• [Pw_forum] virtual.x and VCA problem   Yue-Wen Fang
• [Pw_forum] thin film   Yue-Wen Fang
• [Pw_forum] thin film   Sanjeev Gupta
• [Pw_forum] virtual.x and VCA problem   Paolo Giannozzi
• [Pw_forum] thin film   Halima Zaari
• [Pw_forum] Plotband.x error   Paolo Giannozzi
• [Pw_forum] Approaching Deadline December 1st 2013 - Advanced Scientific Software Development Workshop at ICTP in March 2014   Axel Kohlmeyer
• [Pw_forum] DOS calculation   Sohail Ahmad
• [Pw_forum] DOS calculation   Yun Wang
• [Pw_forum] virtual.x and VCA problem   Yue-Wen Fang
• [Pw_forum] Implementation of Van der Waals Interactions   Manuel Otero
• [Pw_forum] virtual.x and VCA problem   Paolo Giannozzi
• [Pw_forum] TPSS Pseudopotentials, too many bands are not converged   Paolo Giannozzi
• [Pw_forum] virtual.x and VCA problem   Yue-Wen Fang
• [Pw_forum] Implementation of Van der Waals Interactions   Giuseppe Mattioli
• [Pw_forum] Forces are not zero (for atoms in non-primitive cell)   Duy Le
• [Pw_forum] Forces are not zero (for atoms in non-primitive cell)   Lorenzo Paulatto
• [Pw_forum] Forces are not zero (for atoms in non-primitive cell)   Duy Le
• [Pw_forum] Forces are not zero (for atoms in non-primitive cell)   Lorenzo Paulatto
• [Pw_forum] hybrid function   Yundi Quan
• [Pw_forum] hybrid function   Arles V. Gil Rebaza
• [Pw_forum] hybrid function   feng.zimin at ireq.ca
• [Pw_forum] hybrid function   Yundi Quan
• [Pw_forum] Empty .dyn file from running ph.x with images   Jiayi Yan
• [Pw_forum] NEB restart from scratch   paolo paoli100
• [Pw_forum] not converge after 100 itration   ehsan targholi
• [Pw_forum] Implementation of Van der Waals Interactions   Manuel Otero
• [Pw_forum] Implementation of Van der Waals Interactions   Ari P Seitsonen
• [Pw_forum] not converge after 100 itration   xirainbow
• [Pw_forum] not converge after 100 itration   Lorenzo Paulatto
• [Pw_forum] how to calculate carbon nanorribon with AFM ordering   José Gadelha da Silva Filho
• [Pw_forum] how to calculate carbon nanorribon with AFM ordering   José Gadelha da Silva Filho
• [Pw_forum] not converge after 100 itration   Bertrand SITAMTZE
• [Pw_forum] how to calculate carbon nanorribon with AFM ordering   Giovanni Cantele
• [Pw_forum] Core-Level Shifts and Charged Supercells Related Questions   Evren Ataman
• [Pw_forum] Empty .dyn file from running ph.x with images   Andrea Dal Corso
• [Pw_forum] NEB for crystals   Jiri Houska
• [Pw_forum] Core-Level Shifts and Charged Supercells Related Questions   Giuseppe Mattioli
• [Pw_forum] espresso+openmpi   raha khalili
• [Pw_forum] NEB for crystals   Giuseppe Mattioli
• [Pw_forum] Empty .dyn file from running ph.x with images   Jiayi Yan
• [Pw_forum] Wrong phonon frequencies when using nosym=false   Tao Sun
• [Pw_forum] espresso+openmpi   Giuseppe Mattioli
• [Pw_forum] espresso+openmpi   A Keshtkar
• [Pw_forum] Unfolding supercell band structure   Pietro Bonfa'
• [Pw_forum] QE compilation on Blue gene system   Malathi Kalyanikar
• [Pw_forum] ELASTIC code with Quantum Espresso   victoir victoir
• [Pw_forum] ELASTIC code with Quantum Espresso   Bramha Pandey
• [Pw_forum] ELASTIC code with Quantum Espresso   xirainbow
• [Pw_forum] QE compilation on Blue gene system   Paolo Giannozzi
• [Pw_forum] NEB restart from scratch   Paolo Giannozzi
• [Pw_forum] NEB restart from scratch   Paolo Giannozzi
• [Pw_forum] how to calculate carbon nanorribon with AFM ordering   José Gadelha da Silva Filho
• [Pw_forum] how to calculate carbon nanorribon with AFM ordering   Giovanni Cantele
• [Pw_forum] how to calculate carbon nanorribon with AFM ordering   José Gadelha da Silva Filho
• [Pw_forum] how to calculate carbon nanorribon with AFM ordering   Giovanni Cantele
• [Pw_forum] how to calculate carbon nanorribon with AFM ordering   José Gadelha da Silva Filho
• [Pw_forum] how to calculate carbon nanorribon with AFM ordering   Nguyen Chuong
• [Pw_forum] Phonon DOS   Marco Fronzi
• [Pw_forum] problem of semiconductor   Halima Zaari
• [Pw_forum] problem of semiconductor   stefano de gironcoli
• [Pw_forum] problem with the geometry optimization of cp.x   Alex
• [Pw_forum] problem with the geometry optimization of cp.x   Giuseppe Mattioli
• [Pw_forum] Phonon DOS   Paolo Giannozzi
• [Pw_forum] problem with the geometry optimization of cp.x   Paolo Giannozzi
• [Pw_forum] Wrong phonon frequencies when using nosym=false   Paolo Giannozzi
• [Pw_forum] pw.x   A Keshtkar
• [Pw_forum] convergence is not achieved, please help!!!   Ganjar Kurniawan
• [Pw_forum] convergence is not achieved, please help!!!   stefano de gironcoli
• [Pw_forum] convergence is not achieved, please help!!!   Axel Kohlmeyer
• [Pw_forum] command   ehsan targholi
• [Pw_forum] hybrid functionals: dexx<0   Matteo Gerosa
• [Pw_forum] convergence is not achieved, please help!!!   Vikan Manmathan
• [Pw_forum] command   stefano de gironcoli
• [Pw_forum] hybrid functionals: dexx<0   Giuseppe Mattioli
• [Pw_forum] hybrid functionals: dexx<0   Matteo Gerosa
• [Pw_forum] quantum espresso on cluster   yelena
• [Pw_forum] quantum espresso on cluster   Lorenzo Paulatto
• [Pw_forum] quantum espresso on cluster   yelena
• [Pw_forum] convergence is not achieved, please help!!!   Ganjar Kurniawan
• [Pw_forum] quantum espresso on cluster   Paolo Giannozzi
• [Pw_forum] command   Mohsen Modaresi
• [Pw_forum] hybrid functionals: dexx<0   Giuseppe Mattioli
• [Pw_forum] hybrid functionals: dexx<0   Matteo Gerosa
• [Pw_forum] convergence is not achieved, please help!!!   Giuseppe Mattioli
• [Pw_forum] relaxation of scattering region   Mudra Dave
• [Pw_forum] High spin & Low spin Magnetic calculation set up   paresh rout
• [Pw_forum] RE : High spin & Low spin Magnetic calculation set up   BARRETEAU Cyrille
• [Pw_forum] convergence is not achieved, please help!!!   zahra vatankhah

Last message date: Sat Nov 30 20:57:34 CET 2013
Archived on: Wed Feb 28 11:11:02 CET 2018

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