November 2015 Archives by author

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Starting: Mon Nov 2 03:31:00 CET 2015
Ending: Mon Nov 30 14:49:24 CET 2015
Messages: 222

• [Pw_forum] Wannier-2.0.1:-Reg   Suresh A
• [Pw_forum] error # 1 Unable to read namelist INPUT   Manal Abdelsalam
• [Pw_forum] Error in routine diropn (10):can't open a connected unit   Sohail Ahmad
• [Pw_forum] Dielectric constant   Sohail Ahmad
• [Pw_forum] Cell geometry optimization issue   Arijan Aleksić
• [Pw_forum] Geometry_Optimization   Alvaro Santos Alves
• [Pw_forum] Geometry_Optimization   Alvaro Santos Alves
• [Pw_forum] atomic layers   Safa Alzaim
• [Pw_forum] anatase errors   Safa Alzaim
• [Pw_forum] anatase errors   Safa Alzaim
• [Pw_forum] anatase errors   Safa Alzaim
• [Pw_forum] Relaxation of hydrogenated amorphous carbon   Alan J. R. Ambrozio
• [Pw_forum] Using solvent on QE-GPU?   Oliviero Andreussi
• [Pw_forum] norm conserving fully relativistic pseudopotentials needed   Rajdeep Banerjee
• [Pw_forum] GIPAW Problem (Cholesky)   Vic Bermudez
• [Pw_forum] adding vacuum   Pascal Boulet
• [Pw_forum] adding vacuum   Pascal Boulet
• [Pw_forum] Applying a perpendicular Electric Field   Thomas Brumme
• [Pw_forum] Applying a perpendicular Electric Field   Thomas Brumme
• [Pw_forum] i-v characteristics   Valentina Cantatore
• [Pw_forum] atomic layers   Giovanni Cantele
• [Pw_forum] convergence for CaMg2   Giovanni Cantele
• [Pw_forum] anatase errors   Giovanni Cantele
• [Pw_forum] Cell geometry optimization issue   Giovanni Cantele
• [Pw_forum] ZHEGV ERROR   Giovanni Cantele
• [Pw_forum] (no subject)   Giovanni Cantele
• [Pw_forum] How to build a supercell with Xcrysden   Giovanni Cantele
• [Pw_forum] [pw-forum]: Celldm(4) Celldm(5) Celldm(6)   Giovanni Cantele
• [Pw_forum] [pw-forum]: Celldm(4) Celldm(5) Celldm(6)   Giovanni Cantele
• [Pw_forum] NSCF calculation and k-mesh inonsistency   Giovanni Cantele
• [Pw_forum] GIPAW Problem (Cholesky)   Davide Ceresoli
• [Pw_forum] Comparing with and without spin orbit for same pseudo-potential   Andrea Dal Corso
• [Pw_forum] AFM calculation   BARRETEAU Cyrille
• [Pw_forum] Wavefunction Extraction and Electric Field   Kanak Datta
• [Pw_forum] hybrid calculation crashed   Tiana Davide
• [Pw_forum] dexx is negative also with gaupbe   Tiana Davide
• [Pw_forum] dexx is negative also with gaupbe   Tiana Davide
• [Pw_forum] compile attempt with external BLAS and intel MKL (espresso-5.2.1)   Andrew Downs
• [Pw_forum] compile attempt with external BLAS and intel MKL (espresso-5.2.1)   Andrew Downs
• [Pw_forum] compile attempt with external BLAS and intel MKL (espresso-5.2.1)   Andrew Downs
• [Pw_forum] Fwd: band structure   Karim Elgammal
• [Pw_forum] Fwd: band structure   Karim Elgammal
• [Pw_forum] i-v characteristics   Karim Elgammal
• [Pw_forum] HSE Screening Parameter   Ref Fymz
• [Pw_forum] HSE Screening Parameter   Ref Fymz
• [Pw_forum] HSE Screening Parameter   Ref Fymz
• [Pw_forum] HSE Screening Parameter   Ref Fymz
• [Pw_forum] Band gap hybrid functionals   Ref Fymz
• [Pw_forum] Band gap hybrid functionals   Ref Fymz
• [Pw_forum] Band gap hybrid functionals   Ref Fymz
• [Pw_forum] troubles in using epsilon.x on spin-polarized pwscf calculations   Roberto Gaspari
• [Pw_forum] troubles in using epsilon.x on spin-polarized pwscf calculations (Paolo Giannozzi)   Roberto Gaspari
• [Pw_forum] 5.2.1 release building issue   Éric Germaneau
• [Pw_forum] 5.2.1 release building issue   Éric Germaneau
• [Pw_forum] 5.2.1 release building issue   Éric Germaneau
• [Pw_forum] Incomplete output in HSE calculation   Vipul Shivaji Ghemud
• [Pw_forum] Quantum Espress 4.0.3 installation issue   Krishnendu Ghosh
• [Pw_forum] Probable bug in dynmat.f90 in versions 5.1, 5.1.2 and 5.2.1   Prasenjit Ghosh
• [Pw_forum] compilation aborted for realus.f90   Paolo Giannozzi
• [Pw_forum] question about small size benchmarks   Paolo Giannozzi
• [Pw_forum] compilation aborted for realus.f90   Paolo Giannozzi
• [Pw_forum] Error in routine diropn (10):can't open a connected unit   Paolo Giannozzi
• [Pw_forum] Probable bug in dynmat.f90 in versions 5.1, 5.1.2 and 5.2.1   Paolo Giannozzi
• [Pw_forum] Geometry_Optimization   Paolo Giannozzi
• [Pw_forum] Geometry_Optimization   Paolo Giannozzi
• [Pw_forum] Information in dynamic matrix file   Paolo Giannozzi
• [Pw_forum] HSE Screening Parameter   Paolo Giannozzi
• [Pw_forum] Cell geometry optimization issue   Paolo Giannozzi
• [Pw_forum] Query during VC-relax calculation   Paolo Giannozzi
• [Pw_forum] anatase errors   Paolo Giannozzi
• [Pw_forum] troubles in using epsilon.x on spin-polarized pwscf calculations   Paolo Giannozzi
• [Pw_forum] compile attempt with external BLAS and intel MKL (espresso-5.2.1)   Paolo Giannozzi
• [Pw_forum] Bands calculation   Paolo Giannozzi
• [Pw_forum] Why acoustic sum rule correction affcted my optical mode a lot?   Paolo Giannozzi
• [Pw_forum] Is it possible to calculate the IR spectra using finite displacement method using QE?   Paolo Giannozzi
• [Pw_forum] HSE Screening Parameter   Paolo Giannozzi
• [Pw_forum] 5.2.1 release building issue   Paolo Giannozzi
• [Pw_forum] question about small benchmark and pwgui   Paolo Giannozzi
• [Pw_forum] troubles in using epsilon.x on spin-polarized pwscf calculations (Paolo Giannozzi)   Paolo Giannozzi
• [Pw_forum] Problems with high ecutwfc for a C H As F S containing compound   Paolo Giannozzi
• [Pw_forum] question about small benchmark and pwgui   Paolo Giannozzi
• [Pw_forum] question about small benchmark and pwgui   Paolo Giannozzi
• [Pw_forum] 5.2.1 release building issue   Paolo Giannozzi
• [Pw_forum] Incomplete output in HSE calculation   Paolo Giannozzi
• [Pw_forum] error # 1 Unable to read namelist INPUT   Paolo Giannozzi
• [Pw_forum] Getting_an_Error   Paolo Giannozzi
• [Pw_forum] invalid flag   Paolo Giannozzi
• [Pw_forum] extrapolation   Paolo Giannozzi
• [Pw_forum] Reminder: length of messages   Paolo Giannozzi
• [Pw_forum] Fwd: band structure   Paolo Giannozzi
• [Pw_forum] bfgs optimization not going anywhere   Paolo Giannozzi
• [Pw_forum] Relaxation of hydrogenated amorphous carbon   Paolo Giannozzi
• [Pw_forum] dexx is negative also with gaupbe   Paolo Giannozzi
• [Pw_forum] Error in routine exx_n_plane_waves (1): you must initialize the grid first   Paolo Giannozzi
• [Pw_forum] Fwd: band structure   Hildebrand, Mariana
• [Pw_forum] band structure   Hildebrand, Mariana
• [Pw_forum] bfgs optimization not going anywhere   Matej Huš
• [Pw_forum] bfgs optimization not going anywhere   Matej Huš
• [Pw_forum] bfgs optimization not going anywhere   Matej Huš
• [Pw_forum] The value of Larange multipliers when doing constrained ab initio molecular dynamics   Jinfan
• [Pw_forum] adding vacuum   Axel Kohlmeyer
• [Pw_forum] Getting_an_Error   Axel Kohlmeyer
• [Pw_forum] invalid flag   Axel Kohlmeyer
• [Pw_forum] question about small benchmark and pwgui   Tone Kokalj
• [Pw_forum] Problem with visualization of pw.x output using XCrysden   Tone Kokalj
• [Pw_forum] bfgs optimization not going anywhere   Tone Kokalj
• [Pw_forum] Parallelization   Jiqiang Li
• [Pw_forum] Problems with high ecutwfc for a C H As F S containing compound   Ludwig, Stephan
• [Pw_forum] COST Action EUSPEC: Winter School on core level spectroscopies   Layla Martin-Samos
• [Pw_forum] Will the variance of pseudopotential lead to quite different results in the terms of total energy ?   Nicola Marzari
• [Pw_forum] different forces between last 2 steps   Nicola Marzari
• [Pw_forum] Is it possible to calculate the IR spectra using finite displacement method using QE?   Nicola Marzari
• [Pw_forum] adding vacuum   Nicola Marzari
• [Pw_forum] Band gap hybrid functionals   Giuseppe Mattioli
• [Pw_forum] Band gap hybrid functionals   Giuseppe Mattioli
• [Pw_forum] Dielectric constant   Giuseppe Mattioli
• [Pw_forum] Problems with high ecutwfc for a C H As F S containing compound   Giuseppe Mattioli
• [Pw_forum] [pw-forum]: Celldm(4) Celldm(5) Celldm(6)   Giuseppe Mattioli
• [Pw_forum] bfgs optimization not going anywhere   Giuseppe Mattioli
• [Pw_forum] bfgs optimization not going anywhere   Giuseppe Mattioli
• [Pw_forum] bfgs optimization not going anywhere   Giuseppe Mattioli
• [Pw_forum] bfgs optimization not going anywhere   Giuseppe Mattioli
• [Pw_forum] Geometry_Optimization   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] Parallelization   Mofrad, Amir Mehdi (MU-Student)
• [Pw_forum] Parallelization   Mofrad, Amir Mehdi (MU-Student)
• [Pw_forum] HSE Screening Parameter   Mofrad, Amir Mehdi (MU-Student)
• [Pw_forum] SCF_PARALLEL   Mofrad, Amir Mehdi (MU-Student)
• [Pw_forum] Getting_an_Error   Mofrad, Amir Mehdi (MU-Student)
• [Pw_forum] Getting_an_Error   Mofrad, Amir Mehdi (MU-Student)
• [Pw_forum] Pw_forum Digest, Vol 100, Issue 15   fatema Mohamed
• [Pw_forum] NSCF calculation and k-mesh inonsistency   Carlo Motta
• [Pw_forum] NSCF calculation and k-mesh inonsistency   Carlo Motta
• [Pw_forum] Dielectric constant of ZnAl2O4:Cu   Winfred Mulwa
• [Pw_forum] Bethe–Salpeter equation   ZARA NBSH
• [Pw_forum] QE-GPU 14.10.0 with intel compilers   Rolly Ng
• [Pw_forum] 5.2.1 release building issue   Rolly Ng
• [Pw_forum] Using solvent on QE-GPU?   Rolly Ng
• [Pw_forum] compile attempt with external BLAS and intel MKL (espresso-5.2.1)   Kane O'Donnell
• [Pw_forum] compile attempt with external BLAS and intel MKL (espresso-5.2.1)   Kane O'Donnell
• [Pw_forum] compilation aborted for realus.f90   Dr. NG Siu Pang
• [Pw_forum] compilation aborted for realus.f90   Lorenzo Paulatto
• [Pw_forum] compilation aborted for realus.f90   Lorenzo Paulatto
• [Pw_forum] compile attempt with external BLAS and intel MKL (espresso-5.2.1)   Lorenzo Paulatto
• [Pw_forum] Pw_forum Digest, Vol 100, Issue 15   Lorenzo Paulatto
• [Pw_forum] Error in routine exx_n_plane_waves (1): you must initialize the grid first   Lorenzo Paulatto
• [Pw_forum] [pw-forum]: Celldm(4) Celldm(5) Celldm(6)   Francesco Pelizza
• [Pw_forum] [pw-forum]: Celldm(4) Celldm(5) Celldm(6)   Francesco Pelizza
• [Pw_forum] Wannier90-2.0.1 + Nag   Samuel Poncé
• [Pw_forum] different forces between last 2 steps   Jaret Qi
• [Pw_forum] different forces between last 2 steps   Jaret Qi
• [Pw_forum] PWSCF version 5.0.2 vs 5.2.0   Jaret Qi
• [Pw_forum] pp.x variables   Jaret Qi
• [Pw_forum] magnetization in versions 5.2.0&5.0.2   Jaret Qi
• [Pw_forum] pp.x input   Jaret Qi
• [Pw_forum] adding vacuum   Jaret Qi
• [Pw_forum] adding vacuum   Jaret Qi
• [Pw_forum] adding vacuum   Jaret Qi
• [Pw_forum] adding vacuum   Jaret Qi
• [Pw_forum] HSE Screening Parameter   Ilya Ryabinkin
• [Pw_forum] HSE Screening Parameter   Ilya Ryabinkin
• [Pw_forum] extrapolation   Ilya Ryabinkin
• [Pw_forum] Fwd: band structure   Ilya Ryabinkin
• [Pw_forum] bfgs optimization not going anywhere   Ilya Ryabinkin
• [Pw_forum] i-v characteristics   Sridhar Sadasivam
• [Pw_forum] About the coupling of atoms with the vacancy   Pankaj Sahota
• [Pw_forum] bfgs optimization not going anywhere   Ari P Seitsonen
• [Pw_forum] S matrix not positive definite   John Shin
• [Pw_forum] Bethe–Salpeter equation   Ganes Shukri
• [Pw_forum] invalid flag   Hugo Siles
• [Pw_forum] Error in routine exx_n_plane_waves (1): you must initialize the grid first   Anjali Singh
• [Pw_forum] 5.2.1 release building issue   Filippo Spiga
• [Pw_forum] quantum espresso pp.x calculating stm image with constant current mode   Sun Tao
• [Pw_forum] Band gap hybrid functionals   DHIRENDRA VAIDYA
• [Pw_forum] ZHEGV ERROR   Jure Varlec
• [Pw_forum] bfgs optimization not going anywhere   Jure Varlec
• [Pw_forum] Comparing with and without spin orbit for same pseudo-potential   Niels Walet
• [Pw_forum] need help about incorporation energy calculation   Shaofeng Wang
• [Pw_forum] SCF convergence problem of the charged system in Continuum Solvation (Environ)   Yang, Chi-Ta
• [Pw_forum] Band gap hybrid functionals   Mostafa Youssef
• [Pw_forum] elphonon.f90, question about q=0 case, wavefunction evc not used   Fan Zheng
• [Pw_forum] elphonon.f90, question about q=0 case, wavefunction evc not used   Fan Zheng
• [Pw_forum] Fixed spin moment calculation in QE   Yusuf Zuntu
• [Pw_forum] LDOS using pp.x   taoufik espresso
• [Pw_forum] Bands calculation   evan
• [Pw_forum] Band gap hybrid functionals   evan
• [Pw_forum] Poorman wannier approach   stefano de gironcoli
• [Pw_forum] SCF_PARALLEL   stefano de gironcoli
• [Pw_forum] Band gap hybrid functionals   stefano de gironcoli
• [Pw_forum] About the coupling of atoms with the vacancy   stefano de gironcoli
• [Pw_forum] [pw-forum]: Celldm(4) Celldm(5) Celldm(6)   stefano de gironcoli
• [Pw_forum] elphonon.f90, question about q=0 case, wavefunction evc not used   stefano de gironcoli
• [Pw_forum] Why acoustic sum rule correction affcted my optical mode a lot?   liyincumt at gmail.com
• [Pw_forum] Why acoustic sum rule correction affcted my optical mode a lot?   liyincumt at gmail.com
• [Pw_forum] Problem with visualization of pw.x output using XCrysden   liyincumt at gmail.com
• [Pw_forum] compilation aborted for realus.f90   ye ji
• [Pw_forum] Parallelization   jqli14
• [Pw_forum] Information in dynamic matrix file   yin li
• [Pw_forum] Is it possible to calculate the IR spectra using finite displacement method using QE?   yin li
• [Pw_forum] Is it possible to calculate the IR spectra using finite displacement method using QE?   yin li
• [Pw_forum] Query during VC-relax calculation   nirav msc
• [Pw_forum] Query during Fermi surface calculation   nirav msc
• [Pw_forum] Band gap hybrid functionals   plgong
• [Pw_forum] ZHEGV ERROR   rskadeniji
• [Pw_forum] Applying a perpendicular Electric Field   Bahadır salmankurt
• [Pw_forum] Applying a perpendicular Electric Field   Bahadır salmankurt
• [Pw_forum] Applying a perpendicular Electric Field   Bahadır salmankurt
• [Pw_forum] question about small size benchmarks   mohammed shambakey
• [Pw_forum] question about small benchmark and pwgui   mohammed shambakey
• [Pw_forum] question about small benchmark and pwgui   mohammed shambakey
• [Pw_forum] question about small benchmark and pwgui   mohammed shambakey
• [Pw_forum] compilation aborted for realus.f90   silentmlight
• [Pw_forum] compilation aborted for realus.f90   silentmlight
• [Pw_forum] compilation aborted for realus.f90   silentmlight
• [Pw_forum] (no subject)   tomy tunde
• [Pw_forum] ZHEGV ERROR   tomy tunde
• [Pw_forum] (no subject)   tomy tunde
• [Pw_forum] How to build a supercell with Xcrysden   tomy tunde
• [Pw_forum] How to get the band structure after a GW approximation calculation   黄志硕
• [Pw_forum] Will the variance of pseudopotential lead to quite different results in the terms of total energy ?   ＷＡＮＧ ＹＵＡＮＱＩＮＧ
• [Pw_forum] AFM calculation   ＷＡＮＧ ＹＵＡＮＱＩＮＧ

Last message date: Mon Nov 30 14:49:24 CET 2015
Archived on: Wed Feb 28 11:13:07 CET 2018

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