June 2015 Archives by author

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Starting: Mon Jun 1 09:55:51 CEST 2015
Ending: Tue Jun 30 17:56:29 CEST 2015
Messages: 213

• [Pw_forum] How to color RDG plots (plot_num = 19)   Rajdeep Banerjee
• [Pw_forum] Pw_forum Digest, Vol 95, Issue 6   Amreen Bano
• [Pw_forum] Optical Properties Problem   Amreen Bano
• [Pw_forum] Absorption Spectra   Amreen Bano
• [Pw_forum] Raman Spectra   Amreen Bano
• [Pw_forum] Raman Spectra   Amreen Bano
• [Pw_forum] How to disable parallel configuration   Gargee Bhattacharyya
• [Pw_forum] Mos2   Thomas Brumme
• [Pw_forum] Mos2   Giovanni Cantele
• [Pw_forum] regarding supercells in graphene nanoribbons   Giovanni Cantele
• [Pw_forum] regarding supercells in graphene nanoribbons   Giovanni Cantele
• [Pw_forum] Magnetization   Giovanni Cantele
• [Pw_forum] How to simualtion the EPR line with Quantum Espresso   Davide Ceresoli
• [Pw_forum] control strain calculations   Imène Chéraïr
• [Pw_forum] DFT+U+V   Matteo Cococcioni
• [Pw_forum] Error in running pw.x for band structure with free lattice reg.,   Andrea Dal Corso
• [Pw_forum] Bug (or not) with epsil = .false. in PH (trunk version)   Andrea Dal Corso
• [Pw_forum] total magnetization and absolute magnetization   Elham
• [Pw_forum] degauss in input pw   Elham
• [Pw_forum] Pw_forum Digest, Vol 95, Issue 7   Elham
• [Pw_forum] degauss in input pw (Elham)   Elham
• [Pw_forum] total magnetization and absolute magnetization   Elham
• [Pw_forum] total magnetization and absolute magnetization   Elham
• [Pw_forum] Lowdin charge calculation   Princesse Fadwa
• [Pw_forum] vc-relax of R-3c structure does not converge   lung Fermin
• [Pw_forum] problem -while compiling yambo   Andrea Ferretti
• [Pw_forum] access forum from China   Andrea Floris
• [Pw_forum] access forum from China   Andrea Floris
• [Pw_forum] Projection of dos on to molecular orbitals   Guido Fratesi
• [Pw_forum] Projection of dos on to molecular orbitals   Guido Fratesi
• [Pw_forum] Core-level shift calculation   Guido Fratesi
• [Pw_forum] access forum from China   Éric Germaneau
• [Pw_forum] definition of bare potential   Paolo Giannozzi
• [Pw_forum] VC-relaxation celldm 4-5-6   Paolo Giannozzi
• [Pw_forum] Fwd: Error during vc-relax process   Paolo Giannozzi
• [Pw_forum] scf   Paolo Giannozzi
• [Pw_forum] quantum_espresso 5.1.2 installation problem   Paolo Giannozzi
• [Pw_forum] This is a supercell, fractional translations are disabled   Paolo Giannozzi
• [Pw_forum] access forum from China   Paolo Giannozzi
• [Pw_forum] pw.x error in opening input file   Paolo Giannozzi
• [Pw_forum] Electron-Phonon couplings for insulators   Paolo Giannozzi
• [Pw_forum] Abinitio calculation for Iridium   Paolo Giannozzi
• [Pw_forum] PLUMED and Quantum-ESPRESSO   Paolo Giannozzi
• [Pw_forum] Pw_forum Digest, Vol 95, Issue 11   Paolo Giannozzi
• [Pw_forum] QE-5.1.2: NEB.X Crashes with MPI errors   Paolo Giannozzi
• [Pw_forum] Question about Cell Parameter   Paolo Giannozzi
• [Pw_forum] Backward compatibility issue on elph matrix elements between QE 4.0.3 and 5.1.2   Paolo Giannozzi
• [Pw_forum] Fwd: QE 5.1.2 reading QE 5.0.2 *.save files.   Paolo Giannozzi
• [Pw_forum] projwfc.x crashes when natomwfc iz zero   Paolo Giannozzi
• [Pw_forum] regarding supercells in graphene nanoribbons   Sanjeev Gupta
• [Pw_forum] pw.x error in opening input file   Vishal Gupta
• [Pw_forum] pw.x error reading namelist ions   Vishal Gupta
• [Pw_forum] pw.x Error in routine cdiaghg S matrix not positive definite   Vishal Gupta
• [Pw_forum] segmentation fault   Vishal Gupta
• [Pw_forum] Fw: SV: SV: SV: cif2cell enquiry TO NICOLA   Manuel Pérez Jigato
• [Pw_forum] looking for optimal k-point sampling specific to monoclinic cells   Manuel Pérez Jigato
• [Pw_forum] How to simualtion the EPR line with Quantum Espresso   Jinfan
• [Pw_forum] lambda.in file in hexagonal phase   Myungchul Jung
• [Pw_forum] HSE Si Lattice Parameter   Khara, Galvin
• [Pw_forum] Fwd: QE 5.1.2 reading QE 5.0.2 *.save files.   Kirk
• [Pw_forum] Pw_forum Digest, Vol 95, Issue 6   Axel Kohlmeyer
• [Pw_forum] quantum_espresso 5.1.2 installation problem   Axel Kohlmeyer
• [Pw_forum] access forum from China   Axel Kohlmeyer
• [Pw_forum] question about hybridized atoms   Axel Kohlmeyer
• [Pw_forum] question about hybridized atoms   Axel Kohlmeyer
• [Pw_forum] [qe-gpu]   Anubhav Kumar
• [Pw_forum] [qe-gpu]   Anubhav Kumar
• [Pw_forum] [*] Re: [qe-gpu]   Anubhav Kumar
• [Pw_forum] [*] Re: [qe-gpu]   Anubhav Kumar
• [Pw_forum] [*] Re: [qe-gpu]   Anubhav Kumar
• [Pw_forum] Regarding band structure calculation using hybrid functionals   Piyush Kumar
• [Pw_forum] segmentation fault   Piyush Kumar
• [Pw_forum] Quick question about el-phon coupling calculation   Raul Laasner
• [Pw_forum] why the value of 'total energy' within one scf cycle jumps significantly?   Yin Li
• [Pw_forum] Mos2   MKondrin
• [Pw_forum] VC-relaxation celldm 4-5-6   Nicola Marzari
• [Pw_forum] Raman Spectra   Nicola Marzari
• [Pw_forum] vc-relax of R-3c structure does not converge   Giuseppe Mattioli
• [Pw_forum] vc-relax of R-3c structure does not converge   Giuseppe Mattioli
• [Pw_forum] VC-relaxation celldm 4-5-6   Giuseppe Mattioli
• [Pw_forum] wrong symmetries for the forces in a supercell (two files enclosed, .in and .out)   Michael Mehl
• [Pw_forum] How to calculate piezoelectric constants   Mojtaba Mirseraji
• [Pw_forum] How to calculate elastic constants?   Mojtaba Mirseraji
• [Pw_forum] How to calculate Born effective charges ?   Mojtaba Mirseraji
• [Pw_forum] Quick question about el-phon coupling calculation   Carlo Motta
• [Pw_forum] Electron-Phonon couplings for insulators   Carlo Motta
• [Pw_forum] Electron-Phonon couplings for insulators   Carlo Motta
• [Pw_forum] task # 0 from grid_build : error # 16 non unifrom kpt grid   Winfred Mulwa
• [Pw_forum] Convergence   Winfred Mulwa
• [Pw_forum] Convergence   Winfred Mulwa
• [Pw_forum] cif to pwi   Winfred Mulwa
• [Pw_forum] degauss in input pw   Marzari Nicola
• [Pw_forum] Order of the q in the star for each dyn files   Lorenzo Paulatto
• [Pw_forum] Pw_forum Digest, Vol 95, Issue 6   Lorenzo Paulatto
• [Pw_forum] scf   Lorenzo Paulatto
• [Pw_forum] Electron-Phonon couplings for insulators   Lorenzo Paulatto
• [Pw_forum] Error in q2r.x during phonon calculation   Lorenzo Paulatto
• [Pw_forum] xml format for dynamical matrix   Lorenzo Paulatto
• [Pw_forum] VC-relaxation celldm 4-5-6   Francesco Pelizza
• [Pw_forum] VC-relaxation celldm 4-5-6   Francesco Pelizza
• [Pw_forum] VC-relaxation celldm 4-5-6   Francesco Pelizza
• [Pw_forum] PLUMED and Quantum-ESPRESSO   Giovanni La Penna
• [Pw_forum] AiiDA released - a new platform for materials' informatics   Giovanni Pizzi
• [Pw_forum] Order of the q in the star for each dyn files   Samuel Poncé
• [Pw_forum] Order of the q in the star for each dyn files   Samuel Poncé
• [Pw_forum] Bug (or not) with epsil = .false. in PH (trunk version)   Samuel Poncé
• [Pw_forum] Backward compatibility issue on elph matrix elements between QE 4.0.3 and 5.1.2   Samuel Poncé
• [Pw_forum] Backward compatibility issue on elph matrix elements between QE 4.0.3 and 5.1.2   Samuel Poncé
• [Pw_forum] regarding supercells in graphene nanoribbons   Surender Pratap
• [Pw_forum] regarding supercells in graphene nanoribbons   Surender Pratap
• [Pw_forum] regarding supercells in graphene nanoribbons   Surender Pratap
• [Pw_forum] regarding supercells in graphene nanoribbons   Surender Pratap
• [Pw_forum] regarding Graphene nano ribbon   Surender Pratap
• [Pw_forum] convergence   Arles V. Gil Rebaza
• [Pw_forum] total magnetization and absolute magnetization   Arles V. Gil Rebaza
• [Pw_forum] total magnetization and absolute magnetization   Arles V. Gil Rebaza
• [Pw_forum] spin polarization   Tayebeh Roohande
• [Pw_forum] Abinitio calculation for Iridium   Umesh Roy
• [Pw_forum] xml format for dynamical matrix   Umesh Roy
• [Pw_forum] Pw_forum Digest, Vol 95, Issue 13   Umesh Roy
• [Pw_forum] A question about c_band convergence   庞瑞(PANG Rui)
• [Pw_forum] A problem on k points   庞瑞(PANG Rui)
• [Pw_forum] access forum from China   庞瑞(PANG Rui)
• [Pw_forum] access forum from China   庞瑞(PANG Rui)
• [Pw_forum] Fully relativistic pseudopotentials type NORMCONS   庞瑞(PANG Rui)
• [Pw_forum] Difficult to get converge in calculating SOC.   庞瑞(PANG Rui)
• [Pw_forum] where can I find norm-conserved fully relativistic PP, especially for Pb and Te?   庞瑞(PANG Rui)
• [Pw_forum] pw.x error reading namelist ions   Ari P Seitsonen
• [Pw_forum] Regarding band structure calculation using hybrid functionals   Ari P Seitsonen
• [Pw_forum] segmentation fault   Ari P Seitsonen
• [Pw_forum] Question about Cell Parameter   Ari P Seitsonen
• [Pw_forum] Question about Cell Parameter   Ari P Seitsonen
• [Pw_forum] what origin of difference in obtained energy from Dmol3 and ESPRESSO?   Ari P Seitsonen
• [Pw_forum] what origin of difference in obtained energy from Dmol3 and ESPRESSO?   Ari P Seitsonen
• [Pw_forum] QE-5.1.2: NEB.X Crashes with MPI errors   Mauro Sgroi
• [Pw_forum] QE-5.1.2: NEB.X Crashes with MPI errors   Mauro Sgroi
• [Pw_forum] Core-level shift calculation   Ganes Shukri
• [Pw_forum] This is a supercell, fractional translations are disabled   Anjali Singh
• [Pw_forum] How to disable parallel configuration   Filippo Spiga
• [Pw_forum] [qe-gpu]   Filippo Spiga
• [Pw_forum] [qe-gpu]   Filippo Spiga
• [Pw_forum] Version 5.2.0 of Quantum ESPRESSO is available for download   Filippo Spiga
• [Pw_forum] [*] Re: [qe-gpu]   Filippo Spiga
• [Pw_forum] [QE-GPU] compilation error   Filippo Spiga
• [Pw_forum] DFT+U+V   Varadharajan Srinivasan
• [Pw_forum] DFT+U+V   Varadharajan Srinivasan
• [Pw_forum] convergence   Fan Tian
• [Pw_forum] Optical Properties Problem   Iurii Timrov
• [Pw_forum] Absorption Spectra   Iurii Timrov
• [Pw_forum] Convergence   Mehmet Topsakal
• [Pw_forum] task # 0 from grid_build : error # 16 non unifrom kpt grid   H.Y Geoffrey Tse
• [Pw_forum] scf   H.Y Geoffrey Tse
• [Pw_forum] Error in running pw.x for band structure with free lattice reg.,   Muthu V
• [Pw_forum] projwfc.x crashes when natomwfc iz zero   Jure Varlec
• [Pw_forum] projwfc.x crashes when natomwfc iz zero   Jure Varlec
• [Pw_forum] Is geometry optimization same to MD?   Shaofeng Wang
• [Pw_forum] Can the result of relax mode be recongnized as one representive of snapshots of molecular dynamics?   Shaofeng Wang
• [Pw_forum] how long the BOMD should be simulated using pw.x?   Shaofeng Wang
• [Pw_forum] meaning of Lowdin charges with non-collinear magnetizations   Yi Wang
• [Pw_forum] Question about Cell Parameter   Leong Jun Xing
• [Pw_forum] where can I find norm-conserved fully relativistic PP, especially for Pb and Te?   Yang, Ji-Hui
• [Pw_forum] Were is intensity data for RAMAN in case of Cu2O ?   YousafMasood
• [Pw_forum] Raman Spectra   YousafMasood
• [Pw_forum] HSE Si Lattice Parameter   Mostafa Youssef
• [Pw_forum] Ion   Mostafa Youssef
• [Pw_forum] spin polarization   Mostafa Youssef
• [Pw_forum] control strain calculations   Mostafa Youssef
• [Pw_forum] Is geometry optimization same to MD?   Mostafa Youssef
• [Pw_forum] control strain calculations   Mostafa Youssef
• [Pw_forum] access forum from China   Pu ZHANG
• [Pw_forum] access forum from China   Pu ZHANG
• [Pw_forum] access forum from China   Pu ZHANG
• [Pw_forum] A problem on k points   Jin Zelin
• [Pw_forum] spin-orbit coupling   Shoutao Zhang
• [Pw_forum] 回复： Can the result of relax mode be recongnized as one representive of snapshots of molecular dynamics?   Huiqun Zhou
• [Pw_forum] Pw_forum Digest, Vol 95, Issue 11   Yusuf Zuntu
• [Pw_forum] Pw_forum Digest, Vol 95, Issue 14   Yusuf Zuntu
• [Pw_forum] vdW from low density to high density   jiayu dai
• [Pw_forum] pwcond   wososac at df.ufpe.br
• [Pw_forum] Molecular dynamics   fadwa fad
• [Pw_forum] Magnetization   fadwa fad
• [Pw_forum] Why the same input file resulted in differnt output results on different computers?   liyincumt at gmail.com
• [Pw_forum] Is geometry optimization same to MD?   nisihara225 at gmail.com
• [Pw_forum] Error during vc-relax process   saswata halder
• [Pw_forum] Fwd: Error during vc-relax process   saswata halder
• [Pw_forum] [qe-gpu]   nihalraz at iitk.ac.in
• [Pw_forum] Projection of dos on to molecular orbitals   vasudevan m.v
• [Pw_forum] Projection of dos on to molecular orbitals   vasudevan m.v
• [Pw_forum] Error in q2r.x during phonon calculation   nirav msc
• [Pw_forum] definition of bare potential   pourya
• [Pw_forum] How to calculate Born effective charges ?   rauleg
• [Pw_forum] Smearing Problem   paresh rout
• [Pw_forum] quantum_espresso 5.1.2 installation problem   mohammed shambakey
• [Pw_forum] [QE-GPU] compilation error   mohammed shambakey
• [Pw_forum] Mos2   ashkan shekaari
• [Pw_forum] pw.x error reading namelist ions   ashkan shekaari
• [Pw_forum] Error in running pw.x for band structure with free lattice reg.,   ashkan shekaari
• [Pw_forum] How to disable parallel configuration   ashkan shekaari
• [Pw_forum] Mos2   ashkan shekaari
• [Pw_forum] Mos2   ashkan shekaari
• [Pw_forum] Ion   ashkan shekaari
• [Pw_forum] Raman Spectra   ashkan shekaari
• [Pw_forum] Raman Spectra   ashkan shekaari
• [Pw_forum] Qha   ashkan shekaari
• [Pw_forum] Fully relativistic pseudopotentials type NORMCONS   siham siham
• [Pw_forum] Fully relativistic pseudopotentials type Norm-conserving   siham siham
• [Pw_forum] what origin of difference in obtained energy from Dmol3 and ESPRESSO?   ehsan targholi
• [Pw_forum] what origin of difference in obtained energy from Dmol3 and ESPRESSO?   ehsan targholi
• [Pw_forum] problem -while compiling yambo   chaitanya varma
• [Pw_forum] question about hybridized atoms   yelena
• [Pw_forum] question about hybridized atoms   yelena
• [Pw_forum] pbe+vdW   Евгений Пермяков
• [Pw_forum] question about a2F(w) generated by lambda.x and matdyn.x   高淼

Last message date: Tue Jun 30 17:56:29 CEST 2015
Archived on: Wed Feb 28 11:13:05 CET 2018

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