November 2014 Archives by subject

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Starting: Sat Nov 1 05:55:15 CET 2014
Ending: Sun Nov 30 16:02:14 CET 2014
Messages: 249

• [Pw_forum] [Q-e-developers] Not able to subscribe the mailing list   Paolo Giannozzi
• [Pw_forum] [QE-GPU] something   wz30304 at mail.ustc.edu.cn
• [Pw_forum] [QE-GPU] something   Filippo Spiga
• [Pw_forum] About BFGS optimized structure   David Foster
• [Pw_forum] About trust_radius   robert.guzman
• [Pw_forum] About trust_radius   stefano de gironcoli
• [Pw_forum] About trust_radius   robert.guzman
• [Pw_forum] Accelerating multiple calculations with same phase   Youssef Aharbil
• [Pw_forum] Accelerating multiple calculations with same phase   Youssef Aharbil
• [Pw_forum] adding a force term by hand   Nossa, Javier
• [Pw_forum] adding a force term by hand   Paolo Giannozzi
• [Pw_forum] adding a force term by hand   Nossa, Javier
• [Pw_forum] a lot of negative phonons   Muhammad Adnan
• [Pw_forum] Application of QE (CP) in computing properties of polymers and liquid crystals   Mohammed Ghadiyali
• [Pw_forum] Asterisks in the output of the EXX scf calculation   shuai
• [Pw_forum] Asterisks in the output of the EXX scf calculation   xiaochuan Ge
• [Pw_forum] Asterisks in the output of the EXX scf calculation   Paolo Giannozzi
• [Pw_forum] ATOM MASS   Suza W
• [Pw_forum] ATOM MASS   Paolo Giannozzi
• [Pw_forum] band decomposed pDOS   Kapildeb Dolui
• [Pw_forum] band decomposed pDOS   Julian Gamboa
• [Pw_forum] band decomposed pDOS   李云海
• [Pw_forum] band decomposed pdos,   Kapildeb Dolui
• [Pw_forum] band decomposed pdos,   BARRETEAU Cyrille
• [Pw_forum] band decomposed pdos,   Sclauzero Gabriele
• [Pw_forum] bands.x   Manu Hegde
• [Pw_forum] bands.x   xiaochuan Ge
• [Pw_forum] bands.x   xiaochuan Ge
• [Pw_forum] bands.x   Manu Hegde
• [Pw_forum] bands.x   xiaochuan Ge
• [Pw_forum] bands.x   Paolo Giannozzi
• [Pw_forum] bands.x   xiaochuan Ge
• [Pw_forum] bands.x   Manu Hegde
• [Pw_forum] bands.x   Paolo Giannozzi
• [Pw_forum] bands.x   Manu Hegde
• [Pw_forum] bands.x   xiaochuan Ge
• [Pw_forum] bands.x   Paolo Giannozzi
• [Pw_forum] bands.x   Manu Hegde
• [Pw_forum] bands.x   Andrea Dal Corso
• [Pw_forum] BoltzWann for one-dimensional systems?   Hung Nguyen
• [Pw_forum] BoltzWann for one-dimensional systems?   Gabriele Sclauzero
• [Pw_forum] Bonding nature Na-C   Barnali Bhattacharya
• [Pw_forum] Bonding nature Na-C   Sanjeev Gupta
• [Pw_forum] Bonding nature Na-C   Barnali Bhattacharya
• [Pw_forum] Calculate the expectation value of orbital angular momentum   Maciej Szary
• [Pw_forum] CP scf and PW scf   xiaochuan Ge
• [Pw_forum] CP scf and PW scf   Jia Chen
• [Pw_forum] CP scf and PW scf   Paolo Giannozzi
• [Pw_forum] diagonalization (ZHEGV*) failed during ph calculation   Peng Tao
• [Pw_forum] difference in output from dynmat.x and matdyn.x   Sridhar Sadasivam
• [Pw_forum] difference in output from dynmat.x and matdyn.x   stefano de gironcoli
• [Pw_forum] difference in output from dynmat.x and matdyn.x   Sridhar Sadasivam
• [Pw_forum] difference in output from dynmat.x and matdyn.x   Lorenzo Paulatto
• [Pw_forum] dipole flag changes the number of k-points   Pooja Dhorge
• [Pw_forum] dipole flag changes the number of k-points   Thomas Brumme
• [Pw_forum] dipole flag changes the number of k-points   Stefano de Gironcoli
• [Pw_forum] dipole flag changes the number of k-points   Pooja Dhorge
• [Pw_forum] Does considering 2*2*2 supercell is required while calculating LR U   SRKC Sharma Yamijala
• [Pw_forum] Does considering 2*2*2 supercell is required while calculating LR U   Matteo Cococcioni
• [Pw_forum] Does considering 2*2*2 supercell is required while calculating LR U   SRKC Sharma Yamijala
• [Pw_forum] elastic constants   Said Asma
• [Pw_forum] electric field   Paolo Giannozzi
• [Pw_forum] Electronic calculations   Martin Kamau
• [Pw_forum] Electronic calculations   Giuseppe Mattioli
• [Pw_forum] ERROR IN: iotk_scan_tag (iotk_scan.f90:477)   Vijay Amirtharaj A
• [Pw_forum] ERROR IN: iotk_scan_tag (iotk_scan.f90:477)   Giovanni Pizzi
• [Pw_forum] ERROR IN: iotk_scan_tag (iotk_scan.f90:477)   Vijay Amirtharaj A
• [Pw_forum] ERROR IN: iotk_scan_tag (iotk_scan.f90:477)   Vijay Amirtharaj A
• [Pw_forum] Error in routine calbec   Carlo Motta
• [Pw_forum] Error in routine calbec   Paolo Giannozzi
• [Pw_forum] Error in routine calbec   Carlo Motta
• [Pw_forum] Error in routine calbec   Paolo Giannozzi
• [Pw_forum] Error in routine calbec   Paolo Giannozzi
• [Pw_forum] error in routine davcio (10) when -npool is used   Reza Behjatmanesh-Ardakani
• [Pw_forum] error in routine davcio (10) when -npool is used   Reza Behjatmanesh-Ardakani
• [Pw_forum] Fw: Question on epsilon.x in PWSCF   plgong
• [Pw_forum] Fwd: [Wannier] Incompatibility between Wannier Functions and Hamiltonian   robert.guzman
• [Pw_forum] Fwd: bands.x   Manu Hegde
• [Pw_forum] Fwd: Re: Fwd: Re: parameteres of quantum dots   pablohi
• [Pw_forum] Fwd: Re: Fwd: Re: parameteres of quantum dots   Giuseppe Mattioli
• [Pw_forum] Fwd: Re: parameteres of quantum dots   pablohi
• [Pw_forum] Fwd: Re: parameteres of quantum dots   Giuseppe Mattioli
• [Pw_forum] Getting Error in nscf calculations   Manu Hegde
• [Pw_forum] Help ph.x   Albert Aniagyei
• [Pw_forum] Help ph.x   Albert Aniagyei
• [Pw_forum] Help with implementing vc-relax with berry phase electric fields   Nossa, Javier
• [Pw_forum] Help with QE compilation   Elliot Menkah
• [Pw_forum] Help with QE compilation   Filippo Spiga
• [Pw_forum] homo lumo calculations   Muhammad Adnan
• [Pw_forum] homo lumo calculations   xiaochuan Ge
• [Pw_forum] homo lumo calculations   Muhammad Adnan
• [Pw_forum] homo lumo calculations   xiaochuan Ge
• [Pw_forum] homo lumo calculations   Muhammad Adnan
• [Pw_forum] how to fix the occupations in DFT+U   simone marocchi
• [Pw_forum] how to fix the occupations in DFT+U   Matteo Cococcioni
• [Pw_forum] how to fix the occupations in DFT+U (Matteo Cococcioni)   simone marocchi
• [Pw_forum] how to fix the occupations in DFT+U (Matteo Cococcioni)   Paolo Giannozzi
• [Pw_forum] how to fix the occupations in DFT+U (Matteo Cococcioni)   simone marocchi
• [Pw_forum] IFC file convention clarification   Navaneetha Krishnan
• [Pw_forum] IFC file convention clarification   Paolo Giannozzi
• [Pw_forum] IFC file convention clarification   Navaneetha Krishnan
• [Pw_forum] IFCs and supercell   Kvasov Alexander
• [Pw_forum] IFCs and supercell   stefano de gironcoli
• [Pw_forum] IFCs and supercell   Paolo Giannozzi
• [Pw_forum] IFCs and supercell   Kvasov Alexander
• [Pw_forum] IFCs and supercell   stefano de gironcoli
• [Pw_forum] IFCs and supercell   Lorenzo Paulatto
• [Pw_forum] Input file shows diffrent structure in xcrysden.   Mohammed Ghadiyali
• [Pw_forum] Input file shows diffrent structure in xcrysden.   Surender
• [Pw_forum] Interpretation of electron phonon coupling   Elio Physics
• [Pw_forum] Interpretation of the electron-phonon coupling result   Elio Physics
• [Pw_forum] Issues running QHA examples   Ajey Venkataraman
• [Pw_forum] Issues running QHA examples   Paolo Giannozzi
• [Pw_forum] Issue with PAW-BLYP pseudopots and spin-polarized calculations.   Gisela Bocan
• [Pw_forum] Issue with PAW-BLYP pseudopots and spin-polarized calculations.   Paolo Giannozzi
• [Pw_forum] Issue with PAW-BLYP pseudopots and spin-polarized calculations.   Gisela Bocan
• [Pw_forum] Issue with PAW-BLYP pseudopots and spin-polarized calculations.   Paolo Giannozzi
• [Pw_forum] Issue with PAW-BLYP pseudopots and spin-polarized calculations.   Gisela Bocan
• [Pw_forum] Issue with PAW-BLYP pseudopots and spin-polarized calculations.   stefano de gironcoli
• [Pw_forum] Issue with PAW-BLYP pseudopots and spin-polarized calculations.   Gisela Bocan
• [Pw_forum] Issue with PAW-BLYP pseudopots and spin-polarized calculations.   Lorenzo Paulatto
• [Pw_forum] LO-TO splitting in complete phonon dispersion using PWSCF   Kondaiah Samudrala
• [Pw_forum] LO-TO splitting in complete phonon dispersion using PWSCF   Lorenzo Paulatto
• [Pw_forum] LO-TO splitting in complete phonon dispersion using PWSCF   Kondaiah Samudrala
• [Pw_forum] LO-TO splitting in complete phonon dispersion using PWSCF   Lorenzo Paulatto
• [Pw_forum] LO-TO splitting in complete phonon dispersion using PWSCF   Kondaiah Samudrala
• [Pw_forum] LO-TO splitting in complete phonon dispersion using PWSCF   Lorenzo Paulatto
• [Pw_forum] LO-TO splitting in complete phonon dispersion using PWSCF   Kondaiah Samudrala
• [Pw_forum] LO-TO splitting in complete phonon dispersion using PWSCF   Lorenzo Paulatto
• [Pw_forum] LO-TO splitting in complete phonon dispersion using PWSCF   Lorenzo Paulatto
• [Pw_forum] LO-TO splitting in complete phonon dispersion using PWSCF   Kondaiah Samudrala
• [Pw_forum] LO-TO splitting in complete phonon dispersion using PWSCF   Kondaiah Samudrala
• [Pw_forum] magnetic moment and SOC   Sohail Ahmad
• [Pw_forum] manypw.x   Youssef Aharbil
• [Pw_forum] manypw.x   Lorenzo Paulatto
• [Pw_forum] mistaken advice from ph.x   David Strubbe
• [Pw_forum] mistaken advice from ph.x   xiaochuan Ge
• [Pw_forum] mistaken advice from ph.x   Paolo Giannozzi
• [Pw_forum] Mn Norm-Conserving PP (PBE) with GIPAW   roberta pigliapochi
• [Pw_forum] Mn Norm-Conserving PP (PBE) with GIPAW   Paolo Giannozzi
• [Pw_forum] Mn Norm-Conserving PP (PBE) with GIPAW   roberta pigliapochi
• [Pw_forum] Mn Norm-Conserving PP (PBE) with GIPAW   Paolo Giannozzi
• [Pw_forum] Mn Norm-Conserving PP (PBE) with GIPAW   Davide Ceresoli
• [Pw_forum] Mn Norm-Conserving PP (PBE) with GIPAW   Mona Asadi
• [Pw_forum] Mn Norm-Conserving PP (PBE) with GIPAW   Giovanni Cantele
• [Pw_forum] Mn Norm-Conserving PP (PBE) with GIPAW   Mona Asadi
• [Pw_forum] Non Convergence   Elliot Menkah
• [Pw_forum] Non Convergence   Paolo Giannozzi
• [Pw_forum] Non Convergence   BARRETEAU Cyrille
• [Pw_forum] Non Convergence   Paolo Giannozzi
• [Pw_forum] Non Convergence   BARRETEAU Cyrille
• [Pw_forum] Non Convergence   Elliot Menkah
• [Pw_forum] No space left on device   robert.guzman
• [Pw_forum] optimization of unit cell or supercell   James Lee
• [Pw_forum] parameteres of quantum dots   pablohi
• [Pw_forum] parameteres of quantum dots   Giuseppe Mattioli
• [Pw_forum] Phonons with DFPT and DF2 functional   Florian Altvater
• [Pw_forum] Phonons with DFPT and DF2 functional   Paolo Giannozzi
• [Pw_forum] Phonons with DFPT and DF2 functional   stefano de gironcoli
• [Pw_forum] Phonons with DFPT and DF2 functional   Florian Altvater
• [Pw_forum] Phonons with DFPT and DF2 functional   Florian Altvater
• [Pw_forum] Phonons with DFPT and DF2 functional   Florian Altvater
• [Pw_forum] Phonons with DFPT and DF2 functional   Paolo Giannozzi
• [Pw_forum] Phonons with DFPT and DF2 functional   Florian Altvater
• [Pw_forum] Plotting HOMO, LUMO wavefunction   Lorenzo Paulatto
• [Pw_forum] Plotting HOMO, LUMO wavefunction   Filipe Camargo Dalmatti Alves Lima
• [Pw_forum] Plotting HOMO, LUMO wavefunction   Arpan Kundu
• [Pw_forum] Plotting HOMO, LUMO wavefunction   Filipe Camargo Dalmatti Alves Lima
• [Pw_forum] Plotting HOMO, LUMO wavefunction   Arpan Kundu
• [Pw_forum] Problem in nscf calculation   Pang Rui
• [Pw_forum] Problem in nscf calculation   李云海
• [Pw_forum] problem in vc-relax/ relax   Elio Physics
• [Pw_forum] Program Manager - NCCR MARVEL   Nicola Marzari
• [Pw_forum] project conduction bands to atomic orbital bands   pourya
• [Pw_forum] project conduction bands to atomic orbital bands   Giuseppe Mattioli
• [Pw_forum] projwfc.x cannnot recognize pseudo-potential with semi-core states   李云海
• [Pw_forum] projwfc.x cannnot recognize pseudo-potential with semi-core states   Ari P Seitsonen
• [Pw_forum] QHA   Masoud Avi
• [Pw_forum] QHA(with SOC)   Masoud Avi
• [Pw_forum] QHA compilation   PRATIK DAS
• [Pw_forum] QHA compilation   Axel Kohlmeyer
• [Pw_forum] QHA Compile: Using gfortran instead of ifort   W2AGZ
• [Pw_forum] QHA Compile: Using gfortran instead of ifort   Axel Kohlmeyer
• [Pw_forum] QHA Compile: Using gfortran instead of ifort   Alberto Otero de la Roza
• [Pw_forum] QHA Compile: Using gfortran instead of ifort   W2AGZ
• [Pw_forum] QHA Compile: Using gfortran instead of ifort   W2AGZ
• [Pw_forum] QHA Compile: Using gfortran instead of ifort   Axel Kohlmeyer
• [Pw_forum] QHA Compile: Using gfortran instead of ifort   W2AGZ
• [Pw_forum] quantum dots   pablohi
• [Pw_forum] quantum entanglement using quantum espresso   Martin Kamau
• [Pw_forum] Quantum Espresso Installation Error Message - Undefined reference.   Filippo Spiga
• [Pw_forum] Question on epsilon.x in PWSCF   plgong
• [Pw_forum] Questions about vc-relax   Shaofeng Wang
• [Pw_forum] Questions about vc-relax   Giuseppe Mattioli
• [Pw_forum] R: Phonons with DFPT and DF2 functional   Carlo Motta
• [Pw_forum] R: R: Re: Error in routine calbec   Carlo Motta
• [Pw_forum] R: Re: Error in routine calbec   Carlo Motta
• [Pw_forum] R: Re: Error in routine calbec   Paolo Giannozzi
• [Pw_forum] Reg: How to calculate mode dependent lambda values   Peram sreenivasa reddy
• [Pw_forum] Regarding m-projected DOS   himanshu at iopb.res.in
• [Pw_forum] Regarding Nonlinear core-correction   sanjaynayak at jncasr.ac.in
• [Pw_forum] regarding the stability of system   mohaddeseh abbasnejad
• [Pw_forum] regarding the stability of system   Giuseppe Mattioli
• [Pw_forum] regarding the stability of system   Filipe Camargo Dalmatti Alves Lima
• [Pw_forum] Relativistic ultrasoft pseudopotential for Co   Prasenjit Ghosh
• [Pw_forum] Relativistic ultrasoft pseudopotential for Co   BARRETEAU Cyrille
• [Pw_forum] Restarting a vc-relax calculation   Joshua Davis
• [Pw_forum] Running commands   Mona Asadi
• [Pw_forum] Running commands   Giovanni Cantele
• [Pw_forum] SCF Convergence Problem   paresh rout
• [Pw_forum] School of Pure and Applied Biophysics   Paolo Giannozzi
• [Pw_forum] spin-polarized band structure plots for SO coupling   Rajdeep Banerjee
• [Pw_forum] spin-polarized band structure plots for SO coupling   nicvok
• [Pw_forum] spin-polarized band structure plots for SO coupling (nicvok)   Rajdeep Banerjee
• [Pw_forum] supercell   nadia cherifi
• [Pw_forum] supercell   Khalid Ibne Masood Khalid
• [Pw_forum] Supercell building   Julieta Braunstein
• [Pw_forum] Symmetry not recognized in spin-orbit calculations   Lin, Yangzheng
• [Pw_forum] Symmetry not recognized in spin-orbit calculations   Paolo Giannozzi
• [Pw_forum] Symmetry not recognized in spin-orbit calculations   Lin, Yangzheng
• [Pw_forum] Symmetry not recognized in spin-orbit calculations   Paolo Giannozzi
• [Pw_forum] Symmetry not recognized in spin-orbit calculations   Andrea Dal Corso
• [Pw_forum] Symmetry of IFCs (Harmonic) for Si   Navaneetha Krishnan
• [Pw_forum] Symmetry of IFCs (Harmonic) for Si   stefano de gironcoli
• [Pw_forum] Symmetry of IFCs (Harmonic) for Si   Navaneetha Krishnan
• [Pw_forum] Symmetry of IFCs (Harmonic) for Si   stefano de gironcoli
• [Pw_forum] Symmetry of IFCs (Harmonic) for Si   Navaneetha Krishnan
• [Pw_forum] TB09 metaGGA   Juanjo Meléndez
• [Pw_forum] TB09 metaGGA   Paolo Giannozzi
• [Pw_forum] TB09 metaGGA   Juanjo Meléndez
• [Pw_forum] TB09 metaGGA   Paolo Giannozzi
• [Pw_forum] the first version of pwscf   Reza Behjatmanesh-Ardakani
• [Pw_forum] the first version of pwscf   Axel Kohlmeyer
• [Pw_forum] Two electron repulsion integrals   Mike Klymenko
• [Pw_forum] vc-relax and error in routine davcio   Juliana Morbec
• [Pw_forum] vc-relax and error in routine davcio   Paolo Giannozzi
• [Pw_forum] vc-relax and error in routine davcio   Juliana Morbec
• [Pw_forum] vc-relax question   Samin, Adib J.
• [Pw_forum] vc-relax question   Paolo Giannozzi
• [Pw_forum] vdW-DF non-local correlation energy output?   Keith Ray
• [Pw_forum] vdW-DF non-local correlation energy output?   stefano de gironcoli
• [Pw_forum] Volumetric data units in CUBE file format   Kayahan Saritas
• [Pw_forum] Volumetric data units in CUBE file format   xiaochuan Ge
• [Pw_forum] Volumetric data units in CUBE file format   Alberto Otero de la Roza
• [Pw_forum] Volumetric data units in CUBE file format   李云海
• [Pw_forum] xcrysden shows only primitive structure for output of QE   James Lee
• [Pw_forum] xcrysden shows only primitive structure for output of QE   Tone Kokalj
• [Pw_forum] xcrysden shows only primitive structure for output of QE   James Lee
• [Pw_forum] xcrysden shows only primitive structure for output of QE   Michael Mehl

Last message date: Sun Nov 30 16:02:14 CET 2014
Archived on: Wed Feb 28 11:13:02 CET 2018

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