December 2015 Archives by author

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Starting: Tue Dec 1 07:57:43 CET 2015
Ending: Thu Dec 31 07:02:53 CET 2015
Messages: 194

• [Pw_forum] error reading k point # 1   Alwaleed Adllan
• [Pw_forum] Z-valence in pseudopotentail   Muhammad Adnan
• [Pw_forum] Manual Kpoint Optimization for a Monoclinic lattice structured organic compound   Ridwan Agbaoye
• [Pw_forum] Manual Kpoint Optimization for a Monoclinic lattice structured organic compound   Ridwan Agbaoye
• [Pw_forum] Interpretation of vc-relax output   Ridwan Agbaoye
• [Pw_forum] Clarification of celldm(4) in monoclinic   Ridwan Agbaoye
• [Pw_forum] Clarification of celldm(4) in monoclinic   Ridwan Agbaoye
• [Pw_forum] Interpretation of vc-relax output   Ridwan Agbaoye
• [Pw_forum] Access to High Performing Computing cluster resources   Ridwan Agbaoye
• [Pw_forum] optimization using fully relativistic pp   Sohail Ahmad
• [Pw_forum] NaN in output of plotband.x   Sohail Ahmad
• [Pw_forum] optical properties   Sohail Ahmad
• [Pw_forum] tuning band gap with electric field   Sohail Ahmad
• [Pw_forum] Error while running nscf calculation   Amitha
• [Pw_forum] Range of Hubbard U parameter for Fe   Hooman Yaghoobnejad Asl
• [Pw_forum] Polarized Infrared Intensities   Vic Bermudez
• [Pw_forum] DOS Without 'Relax' ?   Vic Bermudez
• [Pw_forum] Problem in installation of exciting   Barnali Bhattacharya
• [Pw_forum] Error in thermo_pw.x run   Barnali Bhattacharya
• [Pw_forum] Negative frequency in phonon calculation   Barnali Bhattacharya
• [Pw_forum] Query during Fermi surface calculation   Goranka Bilalbegovic
• [Pw_forum] add vacuum   Pascal Boulet
• [Pw_forum] Convergence Not Acheived   Pascal Boulet
• [Pw_forum] (no subject)   Giovanni Cantele
• [Pw_forum] Fw: Query during Fermi surface calculation   Giovanni Cantele
• [Pw_forum] problems on LiF bandstructure   Giovanni Cantele
• [Pw_forum] Manual Kpoint Optimization for a Monoclinic lattice structured organic compound   Giovanni Cantele
• [Pw_forum] Clarification of celldm(4) in monoclinic   Giovanni Cantele
• [Pw_forum] Atomic occupation   Andrey Chibisov
• [Pw_forum] bands calculation in QE   Manjusha Chugh
• [Pw_forum] Fwd: bands calculation in QE   Manjusha Chugh
• [Pw_forum] pwscf generates duplicate k-points   Cohen, Ronald
• [Pw_forum] Error in thermo_pw.x run   Andrea Dal Corso
• [Pw_forum] Z-valence in pseudopotentail   Andrea Dal Corso
• [Pw_forum] Segmentation Fault in Subroutine divide_class.f90   Andrea Dal Corso
• [Pw_forum] Segmentation Fault in Subroutine divide_class.f90   Andrea Dal Corso
• [Pw_forum] a few frequencies in PHONON calculation   Andrea Dal Corso
• [Pw_forum] Error during linking pw.x with fftw3 (conflict with native fftw?)   Reinaldo Pis Diez
• [Pw_forum] Error during linking pw.x with fftw3 (conflict with native fftw?)   Reinaldo Pis Diez
• [Pw_forum] Neb calclution -Error in routine engine_to_path_pos (2): inconsistency of atomic species   Elham
• [Pw_forum] Neb calclution -Error in routine engine_to_path_pos (2): inconsistency of atomic species   Elham
• [Pw_forum] PHonon underestimates the dielectric tensor   Mohamed Elshazly
• [Pw_forum] PHonon underestimates the dielectric tensor   Mohamed Elshazly
• [Pw_forum] PHonon underestimates the dielectric tensor   Mohamed Elshazly
• [Pw_forum] phonon calculation stops at a particular mode   lung Fermin
• [Pw_forum] HSE output for yambo TDDFT calculation   Michael Friedrich
• [Pw_forum] Spin orbit coupling with hybrid functional   Prasenjit Ghosh
• [Pw_forum] Spin orbit coupling with hybrid functional   Prasenjit Ghosh
• [Pw_forum] dexx is negative also with gaupbe   Paolo Giannozzi
• [Pw_forum] problems on LiF bandstructure   Paolo Giannozzi
• [Pw_forum] Fixed spin moment calculation in QE   Paolo Giannozzi
• [Pw_forum] HSE output for yambo TDDFT calculation   Paolo Giannozzi
• [Pw_forum] QHA applicatiom - F_QHA.x   Paolo Giannozzi
• [Pw_forum] Raman   Paolo Giannozzi
• [Pw_forum] Issue with LO-TO splitting   Paolo Giannozzi
• [Pw_forum] format control in partialdos.f90   Paolo Giannozzi
• [Pw_forum] Error during linking pw.x with fftw3 (conflict with native fftw?)   Paolo Giannozzi
• [Pw_forum] PW.X list of exit codes   Paolo Giannozzi
• [Pw_forum] pwscf generates duplicate k-points   Paolo Giannozzi
• [Pw_forum] Geometry_Optimization   Paolo Giannozzi
• [Pw_forum] Neb calclution -Error in routine engine_to_path_pos (2): inconsistency of atomic species   Paolo Giannozzi
• [Pw_forum] Error while parsing atomic position card.   Paolo Giannozzi
• [Pw_forum] branch of DFT_plus_U_for_PH   Paolo Giannozzi
• [Pw_forum] QHA applicatiom - F_QHA.x   Eleftheria Gkogkosi
• [Pw_forum] CPMD 2016 workshop announcement   Govoni, Marco
• [Pw_forum] Negative frequency in phonon calculation   Sanjeev Gupta
• [Pw_forum] Command "make" error.   Yeonung Jeong
• [Pw_forum] Plot wannier function with cp.x   CHEN Jinfan
• [Pw_forum] SCF_ERROR   SAHIDA KURESHI
• [Pw_forum] Error in routine exx_n_plane_waves (1): you must initialize the grid first   Mohammed Khalafalla
• [Pw_forum] default parallelization and parallelization of bands.x   Axel Kohlmeyer
• [Pw_forum] find thread and core number   Axel Kohlmeyer
• [Pw_forum] pwscf generates duplicate k-points   Axel Kohlmeyer
• [Pw_forum] optimized Vanderbilt pseudos   Ludwig, Stephan
• [Pw_forum] Fw: Query during Fermi surface calculation   Layla Martin-Samos
• [Pw_forum] HSE output for yambo TDDFT calculation   Layla Martin-Samos
• [Pw_forum] pwscf generates duplicate k-points   Nicola Marzari
• [Pw_forum] Raman   Giuseppe Mattioli
• [Pw_forum] Charge accumulation and depletion   Giuseppe Mattioli
• [Pw_forum] Hubbard term U in optical properties   Giuseppe Mattioli
• [Pw_forum] a few frequencies in PHONON calculation   Eduardo Menendez
• [Pw_forum] a few frequencies in PHONON calculation   Eduardo Menendez
• [Pw_forum] High adsorption energies: CO on Ni-111   Elliot Menkah
• [Pw_forum] Raman   Mofrad, Amir Mehdi (MU-Student)
• [Pw_forum] Raman   Mofrad, Amir Mehdi (MU-Student)
• [Pw_forum] SCF_ERROR   Mofrad, Amir Mehdi (MU-Student)
• [Pw_forum] SCF_ERROR   Mofrad, Amir Mehdi (MU-Student)
• [Pw_forum] Convergence Not Acheived   Mofrad, Amir Mehdi (MU-Student)
• [Pw_forum] Geometry_Optimization   Mofrad, Amir Mehdi (MU-Student)
• [Pw_forum] Geometry_Optimization   Mofrad, Amir Mehdi (MU-Student)
• [Pw_forum] Electron-phonon coupling for Nickel   Mu, Sai
• [Pw_forum] generating pseudopotential   Mu, Sai
• [Pw_forum] Hubbard term U in optical properties   Winfred Mulwa
• [Pw_forum] Using solvent on QE-GPU?   Rolly Ng
• [Pw_forum] Using solvent on QE-GPU?   Rolly Ng
• [Pw_forum] Structural optimization of Biotin molecule   Rolly Ng
• [Pw_forum] Structural optimization of Biotin molecule   Rolly Ng
• [Pw_forum] Error in thermo_pw.x run   Bramha Pandey
• [Pw_forum] Error in thermo_pw.x run   Bramha Pandey
• [Pw_forum] Problem in installation of exciting   Roberto Pasianot
• [Pw_forum] (no subject)   Lorenzo Paulatto
• [Pw_forum] Spin orbit coupling with hybrid functional   Lorenzo Paulatto
• [Pw_forum] what is "mpiifort"?   Lorenzo Paulatto
• [Pw_forum] NaN in output of plotband.x   Lorenzo Paulatto
• [Pw_forum] (no subject)   Lorenzo Paulatto
• [Pw_forum] What is the displacement unit in dynamical matrix file?   Lorenzo Paulatto
• [Pw_forum] Charge Density Difference Calculation problem   Lorenzo Paulatto
• [Pw_forum] How to choose acoustic-sum-rule?   Lorenzo Paulatto
• [Pw_forum] a few frequencies in PHONON calculation   Lorenzo Paulatto
• [Pw_forum] Tutorial on high-throughput computations, and new AiiDA release   Giovanni Pizzi
• [Pw_forum] fix zz direction   Jaret Qi
• [Pw_forum] add vacuum   Jaret Qi
• [Pw_forum] add vacuum   Jaret Qi
• [Pw_forum] Charge accumulation and depletion   Jaret Qi
• [Pw_forum] Fw: Re: Charge accumulation and depletion   Jaret Qi
• [Pw_forum] Saw-like E-field   Jaret Qi
• [Pw_forum] pp.x error   Jaret Qi
• [Pw_forum] Bulk modulus of triclinic pentacene   VARSHA RANI
• [Pw_forum] Bulk modulus of triclinic pentacene   VARSHA RANI
• [Pw_forum] weird result of projwfc.x   庞瑞(PANG Rui)
• [Pw_forum] Image-charge interaction in dynamics   Ilya Ryabinkin
• [Pw_forum] Image-charge interaction in dynamics   Ilya Ryabinkin
• [Pw_forum] Raman   Ilya Ryabinkin
• [Pw_forum] (no subject)   Tariq Sami
• [Pw_forum] optimization using fully relativistic pp   Ari P Seitsonen
• [Pw_forum] PHonon underestimates the dielectric tensor   Ari P Seitsonen
• [Pw_forum] Structural optimization of Biotin molecule   Ari P Seitsonen
• [Pw_forum] Bfgs steps limit   Ari P Seitsonen
• [Pw_forum] INPUT file for kpoints.x   Raja Sen
• [Pw_forum] PW.X list of exit codes   Parham Shenavar
• [Pw_forum] PW.X list of exit codes   Parham Shenavar
• [Pw_forum] Bfgs steps limit   Parham Shenavar
• [Pw_forum] Thanks for BFGS steps guide   Parham Shenavar
• [Pw_forum] (no subject)   Shuai
• [Pw_forum] default parallelization and parallelization of bands.x   Maxim Skripnik
• [Pw_forum] default parallelization and parallelization of bands.x   Maxim Skripnik
• [Pw_forum] default parallelization and parallelization of bands.x   Maxim Skripnik
• [Pw_forum] Thin Film   Stephen Smith
• [Pw_forum] Using solvent on QE-GPU?   Filippo Spiga
• [Pw_forum] Segmentation Fault in Subroutine divide_class.f90   Surender
• [Pw_forum] Segmentation Fault in Subroutine divide_class.f90   Surender
• [Pw_forum] Segmentation Fault in Subroutine divide_class.f90   Surender
• [Pw_forum] Error in routine read_rho_xml (1): dimensions do not match   Surender
• [Pw_forum] branch of DFT_plus_U_for_PH   W2AGZ
• [Pw_forum] Question: Progress/Plan for optimizing Quantum ESPRESSO to Xeon Phi Knight Landing?   Hiromasa WATANABE
• [Pw_forum] Questions   Menberu Woldemariam
• [Pw_forum] Questions   Menberu Woldemariam
• [Pw_forum] optimized Vanderbilt pseudos   Mostafa Youssef
• [Pw_forum] DOS Without 'Relax' ?   Mostafa Youssef
• [Pw_forum] Questions   Mahya Zare
• [Pw_forum] DFT+U with applied electric field   Yusuf Zuntu
• [Pw_forum] tuning band gap with electric field   Yusuf Zuntu
• [Pw_forum] Set up difficulties   jonfrey2013 at aol.com
• [Pw_forum] problems on LiF bandstructure   evan
• [Pw_forum] problems on LiF bandstructure   evan
• [Pw_forum] problems on LiF bandstructure   evan
• [Pw_forum] Fw: Query during Fermi surface calculation   stefano de gironcoli
• [Pw_forum] problems on LiF bandstructure   stefano de gironcoli
• [Pw_forum] default parallelization and parallelization of bands.x   stefano de gironcoli
• [Pw_forum] default parallelization and parallelization of bands.x   stefano de gironcoli
• [Pw_forum] PHonon underestimates the dielectric tensor   stefano de gironcoli
• [Pw_forum] add vacuum   stefano de gironcoli
• [Pw_forum] How to choose acoustic-sum-rule?   stefano de gironcoli
• [Pw_forum] Interpretation of vc-relax output   stefano de gironcoli
• [Pw_forum] Interpretation of vc-relax output   stefano de gironcoli
• [Pw_forum] a few frequencies in PHONON calculation   stefano de gironcoli
• [Pw_forum] What is the displacement unit in dynamical matrix file?   liyincumt at gmail.com
• [Pw_forum] How to choose acoustic-sum-rule?   liyincumt at gmail.com
• [Pw_forum] format control in partialdos.f90   hushujun
• [Pw_forum] branch of DFT_plus_U_for_PH   hushujun
• [Pw_forum] Error in routine read_rho_xml (1): dimensions do not match   efi dwi indari
• [Pw_forum] Error while parsing atomic position card.   efi dwi indari
• [Pw_forum] how to interpret the NVT calculations output files to plot time vs distance   Raj kamal
• [Pw_forum] (no subject)   gyanu khatri
• [Pw_forum] what is cholesky problem? created problem.. could you please help me..   gyanu khatri
• [Pw_forum] What is the displacement unit in dynamical matrix file?   yin li
• [Pw_forum] How to choose acoustic-sum-rule?   yin li
• [Pw_forum] Error in nscf calculation   ben liew
• [Pw_forum] Charge Density Difference Calculation problem   luca maggi
• [Pw_forum] pw.x command not found   olivier matz
• [Pw_forum] Bulk modulus of triclinic pentacene   mkondrin
• [Pw_forum] Bulk modulus of triclinic pentacene   mkondrin
• [Pw_forum] Fw: Query during Fermi surface calculation   nirav msc
• [Pw_forum] Fw: Query during Fermi surface calculation   nirav msc
• [Pw_forum] Issue with LO-TO splitting   lateef mustapha
• [Pw_forum] Issue with LO-TO splitting   lateef mustapha
• [Pw_forum] what is "mpiifort"?   Mahdi Faghih nasiri
• [Pw_forum] find thread and core number   mohammed shambakey
• [Pw_forum] find thread and core number   mohammed shambakey
• [Pw_forum] Raman   xirainbow
• [Pw_forum] error in electron-phonon calculation   潭影空人心
• [Pw_forum] error in electron-phonon calculation   潭影空人心
• [Pw_forum] error in electron-phonon calculation   潭影空人心
• [Pw_forum] Can ph.x in QE calculate electron-phonon coupling constant and Tc for p-wave superconductor   路洪艳

Last message date: Thu Dec 31 07:02:53 CET 2015
Archived on: Wed Feb 28 11:13:08 CET 2018

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