February 2017 Archives by author
Starting: Wed Feb 1 09:58:45 CET 2017
Ending: Tue Feb 28 22:28:47 CET 2017
Messages: 214
- [Pw_forum] carrier lifetime, diffusion length, mobility
HASSAN AHMOUM
- [Pw_forum] Problem in CPMD simulation
Debdipto Acharya
- [Pw_forum] GGA+U
Sohail Ahmad
- [Pw_forum] qe-gipaw 6.0 Segmentation fault
Yasser Fowad AlWahedi
- [Pw_forum] carrier lifetime, diffusion length, mobility
Abdullah N. Albarakati
- [Pw_forum] carrier lifetime, diffusion length, mobility (HASSAN AHMOUM)
Abdullah N. Albarakati
- [Pw_forum] installation error: linking to Fortran libraries from C fails
Amel Alhassan
- [Pw_forum] installation error: linking to Fortran libraries from C fails
Amel Alhassan
- [Pw_forum] installation error: linking to Fortran libraries from C fails
Amel Alhassan
- [Pw_forum] installation error: linking to Fortran libraries from C fails
Amel Alhassan
- [Pw_forum] General quenstion about metallic supercell
Afshin Arjangmehr
- [Pw_forum] The unit of potential (??)
Cristian Degli Esposti Boschi
- [Pw_forum] Symmetry recognition
Pascal Boulet
- [Pw_forum] Symmetry recognition
Pascal Boulet
- [Pw_forum] Symmetry recognition
Pascal Boulet
- [Pw_forum] Optical properties and quasiparticle energy calculation
Thomas Brumme
- [Pw_forum] how to include non local functional for van der waal correction
Giovanni Cantele
- [Pw_forum] How to specify kpoint and kband in pp.x (AGAIN)
Giovanni Cantele
- [Pw_forum] hello i what vacuum in the relax code for quantum dots calculation .should in the free space applay vacuum or not
Giovanni Cantele
- [Pw_forum] Silicon 111 surface
Giovanni Cantele
- [Pw_forum] Silicon 111 surface
Giovanni Cantele
- [Pw_forum] Electron - phonon matrix element
Subhodip Chatterjee
- [Pw_forum] non-collinear calculations in QE (5.0.1)
Hanghui Chen
- [Pw_forum] A possible bug in epsilon.f90
Jia Chen
- [Pw_forum] A possible bug in epsilon.f90
Jia Chen
- [Pw_forum] A possible bug in epsilon.f90
Jia Chen
- [Pw_forum] Calculation of transition dipole moment
Jia Chen
- [Pw_forum] problem with DFT+U
Matteo Cococcioni
- [Pw_forum] problem with DFT+U
Matteo Cococcioni
- [Pw_forum] (no subject)
Sunetra Das
- [Pw_forum] Charge is wrong error
Sunetra Das
- [Pw_forum] Topic 8
Sunetra Das
- [Pw_forum] Error in routine phq_readin (5010)
Sunetra Das
- [Pw_forum] Structural optimization
Sunetra Das
- [Pw_forum] Optical properties and quasiparticle energy calculation
Kanak Datta
- [Pw_forum] cif2qe Error
William Joseph Ivan DeBenedetti
- [Pw_forum] degauss opt
Pietro Delugas
- [Pw_forum] running and installing version 6
Helen Eisenberg
- [Pw_forum] running and installing version 6
Helen Eisenberg
- [Pw_forum] Kind of Stress tensor
Mahdi Faghihnasiri
- [Pw_forum] Deadline approaching: "Advanced computing of excited state properties in solids and nanostructures with Yambo"
Andrea Ferretti
- [Pw_forum] MaX user portal and newsletter
Andrea Ferretti
- [Pw_forum] MaX user portal and newsletter (fwd)
Andrea Ferretti
- [Pw_forum] How to understand Local DOS of a certain atom in qe example
Guido Fratesi
- [Pw_forum] PW.x homogeneous electric field berry phase calculation in trigonal cell
Louis Fry-Bouriaux
- [Pw_forum] PW.x homogeneous electric field berry phase calculation in trigonal cell
Louis Fry-Bouriaux
- [Pw_forum] PW.x homogeneous electric field berry phase calculation in trigonal cell
Louis Fry-Bouriaux
- [Pw_forum] problem about installing
Louis Fry-Bouriaux
- [Pw_forum] PW.x homogeneous electric field berry phase calculation in trigonal cell
Louis Fry-Bouriaux
- [Pw_forum] PW.x homogeneous electric field berry phase calculation in trigonal cell
Louis Fry-Bouriaux
- [Pw_forum] homo and lumo
Louis Fry-Bouriaux
- [Pw_forum] homo and lumo
Louis Fry-Bouriaux
- [Pw_forum] PW.x homogeneous electric field berry phase calculation in trigonal cell
Louis Fry-Bouriaux
- [Pw_forum] PW.x homogeneous electric field berry phase calculation in trigonal cell
Louis Fry-Bouriaux
- [Pw_forum] ESM Example (Al slab with bc2) and Otani/Sugino example
Louis Fry-Bouriaux
- [Pw_forum] Symmetry recognition
Louis Fry-Bouriaux
- [Pw_forum] Symmetry recognition
Louis Fry-Bouriaux
- [Pw_forum] ESM Example (Al slab with bc2) and Otani/Sugino example
Louis Fry-Bouriaux
- [Pw_forum] Error in routine phq_readin (5010)
Louis Fry-Bouriaux
- [Pw_forum] Error in routine phq_readin (5010)
Louis Fry-Bouriaux
- [Pw_forum] Kind of Stress tensor
Hörmann Nicolas Georg
- [Pw_forum] How to specify kpoint and kband in pp.x
Mohammed Ghadiyali
- [Pw_forum] How to specify kpoint and kband in pp.x (AGAIN)
Mohammed Ghadiyali
- [Pw_forum] Bandstructure with HSE06
Vipul Shivaji Ghemud
- [Pw_forum] Bandstructure with HSE06
Vipul Shivaji Ghemud
- [Pw_forum] HSE calculation failed with pwscf v.5.4.0
Paolo Giannozzi
- [Pw_forum] SIC-LDA and ZnO
Paolo Giannozzi
- [Pw_forum] HSE calculation failed with pwscf v.5.4.0
Paolo Giannozzi
- [Pw_forum] "forrtl: severe (71): integer divide by zero" when calculating electron phonon coupling
Paolo Giannozzi
- [Pw_forum] installation error: linking to Fortran libraries from C fails
Paolo Giannozzi
- [Pw_forum] installation error: linking to Fortran libraries from C fails
Paolo Giannozzi
- [Pw_forum] function "dgamma"
Paolo Giannozzi
- [Pw_forum] problem with DFT+U
Paolo Giannozzi
- [Pw_forum] running and installing version 6
Paolo Giannozzi
- [Pw_forum] About output of PDOS calculations of CeO2
Paolo Giannozzi
- [Pw_forum] Symmetry recognition
Paolo Giannozzi
- [Pw_forum] Symmetry recognition
Paolo Giannozzi
- [Pw_forum] Error in routine phq_readin (5010)
Paolo Giannozzi
- [Pw_forum] how to know features of new versions
Paolo Giannozzi
- [Pw_forum] Summer School on Atomistic Simulation Techniques, Trieste, 14-30 June 2017
Stefano de Gironcoli
- [Pw_forum] problem about installing
Nasim Ha
- [Pw_forum] Units in Vc-relax
Manu Hegde
- [Pw_forum] Units in Vc-relax
Manu Hegde
- [Pw_forum] problem with DFT+U
Federico Iori
- [Pw_forum] Optical properties and quasiparticle energy calculation
Federico Iori
- [Pw_forum] LDA+U for p orbitals
Federico Iori
- [Pw_forum] Re : Learning TDDFT calculation in Atomic label (CH4 molecule) using turbo_lanczos.x and turbo_davidson.x
Timrov Iurii
- [Pw_forum] Calculation of electron-phonon interaction coefficients
Krishnamohan
- [Pw_forum] Calculation of transition dipole moment
Duy Le
- [Pw_forum] error in average.x
Chao Lei
- [Pw_forum] HSE calculation failed with pwscf v.5.4.0
Hongsheng Liu
- [Pw_forum] HSE calculation failed with pwscf v.5.4.0
Hongsheng Liu
- [Pw_forum] HSE calculation failed with pwscf v.5.4.0
Hongsheng Liu
- [Pw_forum] HSE calculation failed with pwscf v.5.4.0
Hongsheng Liu
- [Pw_forum] problem with DFT+U
Hongsheng Liu
- [Pw_forum] problem with DFT+U
Hongsheng Liu
- [Pw_forum] problem with DFT+U
Hongsheng Liu
- [Pw_forum] problem with DFT+U
Hongsheng Liu
- [Pw_forum] problem with DFT+U
Hongsheng Liu
- [Pw_forum] problem with DFT+U
Hongsheng Liu
- [Pw_forum] "forrtl: severe (71): integer divide by zero" when calculating electron phonon coupling
Xiaoyu Liu
- [Pw_forum] "forrtl: severe (71): integer divide by zero" when calculating electron phonon coupling
Xiaoyu Liu
- [Pw_forum] LDA+U for p orbitals
FARAH MARSUSI
- [Pw_forum] GGA+U
FARAH MARSUSI
- [Pw_forum] GGA+U
FARAH MARSUSI
- [Pw_forum] GGA+U band structurs
FARAH MARSUSI
- [Pw_forum] atomic magnetization
FARAH MARSUSI
- [Pw_forum] SIC-LDA and ZnO
Malmberg, Christopher Eric
- [Pw_forum] A possible bug in epsilon.f90
Marton
- [Pw_forum] A possible bug in epsilon.f90
Marton
- [Pw_forum] A possible bug in epsilon.f90
Marton
- [Pw_forum] how to include non local functional for van der waal correction
Nicola Marzari
- [Pw_forum] degauss opt
Nicola Marzari
- [Pw_forum] carrier lifetime, diffusion length, mobility (HASSAN AHMOUM)
Nicola Marzari
- [Pw_forum] Alignment of total energy?
Nicola Marzari
- [Pw_forum] GGA+U
Giuseppe Mattioli
- [Pw_forum] GGA+U
Giuseppe Mattioli
- [Pw_forum] About output of PDOS calculations of CeO2
Giuseppe Mattioli
- [Pw_forum] About output of PDOS calculations of CeO2
Giuseppe Mattioli
- [Pw_forum] All Lowdin charges are zero
Giuseppe Mattioli
- [Pw_forum] All Lowdin charges are zero
Giuseppe Mattioli
- [Pw_forum] All Lowdin charges are zero
Giuseppe Mattioli
- [Pw_forum] "vague question" (renamed --> Re: Pw_forum Digest, Vol 115, Issue 25)
Giuseppe Mattioli
- [Pw_forum] GGA+U
Giuseppe Mattioli
- [Pw_forum] Alignment of total energy?
Giuseppe Mattioli
- [Pw_forum] Dissociation on metallic surface
Giuseppe Mattioli
- [Pw_forum] carrier lifetime, diffusion length, mobility (HASSAN AHMOUM)
Eduardo Menendez
- [Pw_forum] Understanding the calculation
Himani Mishra
- [Pw_forum] Understanding the calculation
Himani Mishra
- [Pw_forum] QE 6 compilation
Mofrad, Amir Mehdi (MU-Student)
- [Pw_forum] Silicon 111 surface
Ubaid Mohd
- [Pw_forum] Convergence issue for C/BN slab
Namita Narendra
- [Pw_forum] cif2qe Error
Carlo Nervi
- [Pw_forum] cif2qe Error
Carlo Nervi
- [Pw_forum] Should I enable hyper-threading on QE v5.3.0?
Rolly Ng
- [Pw_forum] ESM Example (Al slab with bc2) and Otani/Sugino example
Minoru Otani
- [Pw_forum] how to include non local functional for van der waal correction
VineetKumar Pandey
- [Pw_forum] HSE calculation failed with pwscf v.5.4.0
Lorenzo Paulatto
- [Pw_forum] PW.x homogeneous electric field berry phase calculation in trigonal cell
Lorenzo Paulatto
- [Pw_forum] PW.x homogeneous electric field berry phase calculation in trigonal cell
Lorenzo Paulatto
- [Pw_forum] PW.x homogeneous electric field berry phase calculation in trigonal cell
Lorenzo Paulatto
- [Pw_forum] Bandstructure with HSE06
Lorenzo Paulatto
- [Pw_forum] PW.x homogeneous electric field berry phase calculation in trigonal cell
Lorenzo Paulatto
- [Pw_forum] About output of PDOS calculations of CeO2
Lorenzo Paulatto
- [Pw_forum] basis set module PROJWFC
Lorenzo Paulatto
- [Pw_forum] Error in routine phq_readin (5010)
Lorenzo Paulatto
- [Pw_forum] atomic magnetization
Lorenzo Paulatto
- [Pw_forum] Plotband.x print 'cross' bands
Lorenzo Paulatto
- [Pw_forum] nscf run of GGA+U
Lorenzo Paulatto
- [Pw_forum] About output of PDOS calculations of CeO2
Phanikumar Pentyala
- [Pw_forum] About output of PDOS calculations of CeO2
Phanikumar Pentyala
- [Pw_forum] About output of PDOS calculations of CeO2
Phanikumar Pentyala
- [Pw_forum] Calculation of transition dipole moment
Huy Pham
- [Pw_forum] Calculation of transition dipole moment
Huy Pham
- [Pw_forum] Plotband.x print 'cross' bands
Meena Rittiruam
- [Pw_forum] Plotband.x print 'cross' bands
Meena Rittiruam
- [Pw_forum] URGENT
Biswajit Santra
- [Pw_forum] Convergence issue for C/BN slab
Biswajit Santra
- [Pw_forum] Problem in CPMD simulation
Biswajit Santra
- [Pw_forum] Re : Learning TDDFT calculation in Atomic label (CH4 molecule) using turbo_lanczos.x and turbo_davidson.x
Ari P Seitsonen
- [Pw_forum] QE 6 compilation
Ari P Seitsonen
- [Pw_forum] problem about installing
Ari P Seitsonen
- [Pw_forum] homo and lumo
Ari P Seitsonen
- [Pw_forum] Alignment of total energy?
Ari P Seitsonen
- [Pw_forum] function "dgamma"
Mahmoud Payami Shabestari
- [Pw_forum] function "dgamma"
Mahmoud Payami Shabestari
- [Pw_forum] error in gipaw calculation_non-collinear not supported yet
Maria Tassi
- [Pw_forum] Fwd: Calculation of electron-phonon interaction coefficients
Caloma Trumica
- [Pw_forum] Relaxing alpha U
Ajit V
- [Pw_forum] Pw_forum Digest, Vol 115, Issue 22
Muthu V
- [Pw_forum] Dissociation on metallic surface
Vincenzo Verdolino
- [Pw_forum] Dissociation on metallic surface
Vincenzo Verdolino
- [Pw_forum] Dissociation on metallic surface
Vincenzo Verdolino
- [Pw_forum] Silicon DOS issue
Xufeng Wang
- [Pw_forum] Silicon DOS issue - Pw_forum Digest, Vol 115, Issue 18
Xufeng Wang
- [Pw_forum] Pressure along z-plane
Perpetua Wanjiru
- [Pw_forum] upcoming workshops, summer schools and how to find them?
Christoph Wolf(신소재공학과)
- [Pw_forum] Charge is wrong error
Jing Yang
- [Pw_forum] All Lowdin charges are zero
Semen Yesylevskyy
- [Pw_forum] All Lowdin charges are zero
Semen Yesylevskyy
- [Pw_forum] All Lowdin charges are zero
Semen Yesylevskyy
- [Pw_forum] Understanding the calculation
shantanu agnihotri
- [Pw_forum] Understanding the calculation
shantanu agnihotri
- [Pw_forum] Silicon 111 surface
shantanu agnihotri
- [Pw_forum] basis set module PROJWFC
alberto
- [Pw_forum] would like to plot electron density along negative x-axis
gangotri dey
- [Pw_forum] Pw_forum Digest, Vol 115, Issue 25
hamid elbushra
- [Pw_forum] Kind of Stress tensor
stefano de gironcoli
- [Pw_forum] Units in Vc-relax
stefano de gironcoli
- [Pw_forum] Understanding the calculation
meisam.a63 at gmail.com
- [Pw_forum] degauss opt
mohammadreza hosseini
- [Pw_forum] how to know features of new versions
Raj kamal
- [Pw_forum] how to know features of new versions (Paolo Giannozzi)
Raj kamal
- [Pw_forum] (no subject)
wendi krim
- [Pw_forum] homo and lumo
zahra krim
- [Pw_forum] hello i will calculation quantum dots cspbi3 vc-relax what happens in input file to the not bulk calculation
ali mehdizadeh
- [Pw_forum] hello i what vacuum in the relax code for quantum dots calculation .should in the free space applay vacuum or not
ali mehdizadeh
- [Pw_forum] Silicon DOS issue - Pw_forum Digest, Vol 115, Issue 18
nicvok
- [Pw_forum] Re : Learning TDDFT calculation in Atomic label (CH4 molecule) using turbo_lanczos.x and turbo_davidson.x
dario rocca
- [Pw_forum] Calculation of transition dipole moment
dario rocca
- [Pw_forum] Error in routine phq_readin (5010)
dario rocca
- [Pw_forum] Cpmd
ashkan shekaari
- [Pw_forum] URGENT
ashkan shekaari
- [Pw_forum] Problem in CPMD simulation
ashkan shekaari
- [Pw_forum] k point in PHonon
wangwy13
- [Pw_forum] nscf run of GGA+U
project way
- [Pw_forum] nscf run of GGA+U
project way
- [Pw_forum] problem about installing
Максим Арсентьев
- [Pw_forum] How to understand Local DOS of a certain atom in qe example
朱林光
- [Pw_forum] How to understand Local DOS of a certain atom in qe example
朱林光
- [Pw_forum] The unit of potential
毛飞
- [Pw_forum] The unit of potential (??)
毛飞
- [Pw_forum] wrong representation in phonon calculation with qe-6.0
高淼
- [Pw_forum] Fw: Re: Re: optimization problems of vanadium oxide
WANG YUANQING
Last message date:
Tue Feb 28 22:28:47 CET 2017
Archived on: Wed Feb 28 11:16:22 CET 2018
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