July 2015 Archives by subject

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Starting: Wed Jul 1 07:19:16 CEST 2015
Ending: Fri Jul 31 17:16:54 CEST 2015
Messages: 313

• [Pw_forum] "nat_todo",could anyone help me?   Elham
• [Pw_forum] (no subject)   ashkan shekaari
• [Pw_forum] (no subject)   Sanjeev Gupta
• [Pw_forum] (no subject)   ashkan shekaari
• [Pw_forum] (no subject)   Surender Pratap
• [Pw_forum] (no subject)   ashkan shekaari
• [Pw_forum] (no subject)   Khalid Ibne Masood Khalid
• [Pw_forum] (no subject)   Paolo Giannozzi
• [Pw_forum] (no subject)   Surykant Mishra
• [Pw_forum] (no subject)   Paolo Giannozzi
• [Pw_forum] (no subject)   Surykant Mishra
• [Pw_forum] (no subject)   Bramha Pandey
• [Pw_forum] (no subject)   tomy tunde
• [Pw_forum] (no subject)   Giuseppe Mattioli
• [Pw_forum] (no subject)   ashkan shekaari
• [Pw_forum] (no subject)   ashkan shekaari
• [Pw_forum] (no subject)   Lorenzo Paulatto
• [Pw_forum] (no subject)   Paolo Giannozzi
• [Pw_forum] (no subject)   ashkan shekaari
• [Pw_forum] (no subject)   ashkan shekaari
• [Pw_forum] (no subject)   Paolo Giannozzi
• [Pw_forum] (no subject)   ashkan shekaari
• [Pw_forum] (no subject)   ashkan shekaari
• [Pw_forum] (no subject)   Anup Shakya
• [Pw_forum] (Post)doctoral position in catalysis from first principles   Nicola Marzari
• [Pw_forum] About Optical Properties in Quantum Espresso   Vîpîñ Kúmår
• [Pw_forum] About Optical Properties in Quantum Espresso   Giuseppe Mattioli
• [Pw_forum] Any special treatments for DFT-D2 and DFT-TS ?   Francesco Pelizza
• [Pw_forum] Any special treatments for DFT-D2 and DFT-TS ?   Paolo Giannozzi
• [Pw_forum] Any special treatments for DFT-D2 and DFT-TS ?   Francesco Pelizza
• [Pw_forum] APPLICATION TERMINATED WITH THE EXIT STRING: Killed (signal 9)   Winfred Mulwa
• [Pw_forum] APPLICATION TERMINATED WITH THE EXIT STRING: Killed (signal 9)   Paolo Giannozzi
• [Pw_forum] badar charge analysis   Raj kamal
• [Pw_forum] Bader charges in bulk GaN   Manjusha Chugh
• [Pw_forum] Band_plot.x   Athul M
• [Pw_forum] Band_structure_plot   Gul Rahman
• [Pw_forum] Band_structure_plot   Giovanni Cantele
• [Pw_forum] Band_structure_plot   Mohammad Sandoghchi
• [Pw_forum] Bandstructure plot with HSE   DHIRENDRA VAIDYA
• [Pw_forum] Bandstructure plot with HSE   Nicola Marzari
• [Pw_forum] Bandstructure plot with HSE   mkondrin
• [Pw_forum] Bandstructure plot with HSE   dario rocca
• [Pw_forum] BFGS Relaxation   Kanak Datta
• [Pw_forum] BFGS Relaxation   Lorenzo Paulatto
• [Pw_forum] BFGS Relaxation   ashkan shekaari
• [Pw_forum] BFGS Relaxation   Lorenzo Paulatto
• [Pw_forum] BFGS Relaxation   ashkan shekaari
• [Pw_forum] BFGS Relaxation   ashkan shekaari
• [Pw_forum] Bizarre (and rather unexpected) absolute magnetization?   Van den Berg, Jan (JA)
• [Pw_forum] Can I obtain IR spectrum from CPMD trajectory in Quantum Espresso?   liyincumt at gmail.com
• [Pw_forum] Can I obtain IR spectrum from CPMD trajectory in Quantum Espresso?   Nicola Marzari
• [Pw_forum] Can I obtain IR spectrum from CPMD trajectory in Quantum Espresso?   Pascal Boulet
• [Pw_forum] Can I obtain IR spectrum from CPMD trajectory in Quantum Espresso?   Nicola Marzari
• [Pw_forum] Can I obtain IR spectrum from CPMD trajectory in Quantum Espresso?   Paolo Giannozzi
• [Pw_forum] Can I obtain IR spectrum from CPMD trajectory in Quantum Espresso?   Pascal Boulet
• [Pw_forum] Can I obtain IR spectrum from CPMD trajectory in Quantum Espresso?   Giuseppe Mattioli
• [Pw_forum] Can I obtain IR spectrum from CPMD trajectory in Quantum Espresso?   Mostafa Youssef
• [Pw_forum] Can I obtain IR spectrum from CPMD trajectory in Quantum Espresso?   Pascal Boulet
• [Pw_forum] Changing Kinetic Energy cut-off   Elliot Menkah
• [Pw_forum] Changing Kinetic Energy cut-off   Giovanni Cantele
• [Pw_forum] Changing Kinetic Energy cut-off   Lorenzo Paulatto
• [Pw_forum] Changing Kinetic Energy cut-off   Elliot Menkah
• [Pw_forum] Changing Kinetic Energy cut-off   Giovanni Cantele
• [Pw_forum] charge analysis   Raj kamal
• [Pw_forum] charge analysis   Giuseppe Mattioli
• [Pw_forum] charge analysis   Raj kamal
• [Pw_forum] charge analysis   Jure Varlec
• [Pw_forum] charge analysis   Axel Kohlmeyer
• [Pw_forum] charge analysis   Jure Varlec
• [Pw_forum] charge analysis   Giuseppe Mattioli
• [Pw_forum] charge analysis   Tiana Davide
• [Pw_forum] charge analysis   Jure Varlec
• [Pw_forum] Charge Density   Mohamad Moadeli
• [Pw_forum] Charge Density   Giovanni Cantele
• [Pw_forum] Charge Density   Mohamad Moadeli
• [Pw_forum] charge density unit   Mohamad Moadeli
• [Pw_forum] charge density unit   Paolo Giannozzi
• [Pw_forum] charge density unit   Mohamad Moadeli
• [Pw_forum] Charged impurity   mkondrin
• [Pw_forum] Charged impurity   Giuseppe Mattioli
• [Pw_forum] Charged impurity   mkondrin
• [Pw_forum] co-ordination no in quantum espresso,   PRATIK DAS
• [Pw_forum] Convergence issue in MoS2 super cell   Mahendra Jalkhediya
• [Pw_forum] Convergence issue in MoS2 super cell   Bahadır salmankurt
• [Pw_forum] Convergence issue in MoS2 super cell   Giovanni Cantele
• [Pw_forum] Convergence issue in MoS2 super cell   Giovanni Cantele
• [Pw_forum] Convergence issue in MoS2 super cell   Mahendra Jalkhediya
• [Pw_forum] Convergence issue in MoS2 super cell   Bahadır salmankurt
• [Pw_forum] Convergence issue in MoS2 super cell   Mahendra Jalkhediya
• [Pw_forum] Convergence issue in MoS2 super cell   ashkan shekaari
• [Pw_forum] Convergence issue in MoS2 super cell   Bahadır salmankurt
• [Pw_forum] Convergence Problem for Ni111-3 layer system   YousafMasood
• [Pw_forum] Convergence Problem for Ni111-3 layer system   Youssef
• [Pw_forum] Convergence Problem for Ni111-3 layer system   YousafMasood
• [Pw_forum] Convergence Problem for Ni111-3 layer system   Arles V. Gil Rebaza
• [Pw_forum] Convergence problem in NEB   Junning Li
• [Pw_forum] Convergence problem in NEB   Nkosinathi Malaza
• [Pw_forum] Convergence problem in NEB   Paolo Giannozzi
• [Pw_forum] Cp   ashkan shekaari
• [Pw_forum] Cp   ashkan shekaari
• [Pw_forum] dielectric constant   Azadi, Sam
• [Pw_forum] dielectric constant   William Parker
• [Pw_forum] Enquiry about Electrostatic Potential Energy   song kenan
• [Pw_forum] Enquiry about Electrostatic Potential Energy   Giovanni Cantele
• [Pw_forum] Enquiry about Electrostatic Potential Energy   song kenan
• [Pw_forum] Enquiry about phonon calculation   saswata halder
• [Pw_forum] error epsilon calculation   Said Asma
• [Pw_forum] error epsilon calculation   Paolo Giannozzi
• [Pw_forum] Error in routine d_matrix_so   Rajdeep Banerjee
• [Pw_forum] Error in routine d_matrix_so   Paolo Giannozzi
• [Pw_forum] Error in routine d_matrix_so   Rajdeep Banerjee
• [Pw_forum] Error in routine d_matrix_so   Filippo Spiga
• [Pw_forum] Error in routine d_matrix_so   Rajdeep Banerjee
• [Pw_forum] Error in routine d_matrix_so   Surykant Mishra
• [Pw_forum] Error in routine d_matrix_so   Paolo Giannozzi
• [Pw_forum] Error in routine d_matrix_so   Paolo Giannozzi
• [Pw_forum] Error in routine d_matrix_so (Paolo Giannozzi)   Rajdeep Banerjee
• [Pw_forum] Error in routine pw_readfile (1): error opening xml data file   Ka Yi Tsang
• [Pw_forum] Error in routine pw_readfile (1): error opening xml data file   Paolo Giannozzi
• [Pw_forum] Error in routine pw_readfile (1): error opening xml data file + U application on p-orbital   YousafMasood
• [Pw_forum] Error in routine pw_readfile (1): error opening xml data file + U application on p-orbital   Paolo Giannozzi
• [Pw_forum] error in running pw.x command   mohaddeseh abbasnejad
• [Pw_forum] error in running pw.x command   Paolo Giannozzi
• [Pw_forum] error in running pw.x command   Ari P Seitsonen
• [Pw_forum] error in running pw.x command   Bahadır salmankurt
• [Pw_forum] error in running pw.x command   nicola varini
• [Pw_forum] error in running pw.x command   mohaddeseh abbasnejad
• [Pw_forum] ESM and ESM_w   Nkosinathi Malaza
• [Pw_forum] ESM and ESM_w   Bahadır salmankurt
• [Pw_forum] ESM and ESM_w   Nkosinathi Malaza
• [Pw_forum] ESM and ESM_w   Bahadır salmankurt
• [Pw_forum] ESM and ESM_w   Nkosinathi Malaza
• [Pw_forum] ESM and ESM_w   Nkosinathi Malaza
• [Pw_forum] ESM and ESM_w   Minoru Otani
• [Pw_forum] ev.x gives wrong results   anyy zsj
• [Pw_forum] ev.x gives wrong results   Paolo Giannozzi
• [Pw_forum] ev.x gives wrong results   anyy zsj
• [Pw_forum] ev.x gives wrong results   Paolo Giannozzi
• [Pw_forum] ev.x gives wrong results   anyy zsj
• [Pw_forum] ev.x gives wrong results   Paolo Giannozzi
• [Pw_forum] ev.x gives wrong results   anyy zsj
• [Pw_forum] ev.x gives wrong results   Paolo Giannozzi
• [Pw_forum] ev.x gives wrong results   anyy zsj
• [Pw_forum] ev.x gives wrong results   Paolo Giannozzi
• [Pw_forum] FFT libraries   Paolo Giannozzi
• [Pw_forum] Fwd: Enquiry about phonon calculation   saswata halder
• [Pw_forum] Fwd: Enquiry about phonon calculation   saswata halder
• [Pw_forum] Fwd: error in running pw.x command   mohaddeseh abbasnejad
• [Pw_forum] How to apply e field for slab?   Bahadır salmankurt
• [Pw_forum] How to apply e field for slab?   Bahadır salmankurt
• [Pw_forum] How to calculate Born effective charges ?   Mojtaba Mirseraji
• [Pw_forum] How to calculate Born effective charges ?   stefano de gironcoli
• [Pw_forum] How to calculate charged system binding energy?   Bahadır salmankurt
• [Pw_forum] How to calculate charged system binding energy?   Mostafa Youssef
• [Pw_forum] How to calculate charged system binding energy?   Bahadır salmankurt
• [Pw_forum] How to calculate elastic constants?   Mojtaba Mirseraji
• [Pw_forum] How to calculate elastic constants?   stefano de gironcoli
• [Pw_forum] How to calculate elastic constants?   BARRETEAU Cyrille
• [Pw_forum] How to calculate inverse participation ratio (IPR) using espresso?   reza vatan
• [Pw_forum] How to calculate inverse participation ratio (IPR) using espresso?   Stefano de Gironcoli
• [Pw_forum] How to calculate orbital coefficient in QE?   reza vatan
• [Pw_forum] How to calculate orbital coefficient in QE?   Giuseppe Mattioli
• [Pw_forum] How to calculate piezoelectric constants   Mojtaba Mirseraji
• [Pw_forum] How to calculate piezoelectric constants   stefano de gironcoli
• [Pw_forum] How to get the Raman tensors of every phonon mode?   肖瑞春
• [Pw_forum] How to select unit cell for optimization calculation?   max
• [Pw_forum] How to select unit cell for optimization calculation?   Giovanni Cantele
• [Pw_forum] How to select unit cell for optimization calculation?   max
• [Pw_forum] How to select unit cell for optimization calculation?   Giovanni Cantele
• [Pw_forum] How to select unit cell for optimization calculation?   max
• [Pw_forum] How to select unit cell for optimization calculation?   Youssef
• [Pw_forum] How to select unit cell for optimization calculation?   Youssef
• [Pw_forum] How to select unit cell for optimization calculation?   max
• [Pw_forum] How to select unit cell for optimization calculation?   Youssef
• [Pw_forum] HSE with USPP   Xiaoming Wang
• [Pw_forum] HSE with USPP   Paolo Giannozzi
• [Pw_forum] HSE with USPP   Xiaoming Wang
• [Pw_forum] Issue with Raman Spectra   Dasmahapatra, Atreyi
• [Pw_forum] Is vdw correction implemented in ph.x of QE 5.2 version?   Yin Li
• [Pw_forum] Is vdw correction implemented in ph.x of QE 5.2 version?   Paolo Giannozzi
• [Pw_forum] Magnetization   fadwa fad
• [Pw_forum] Magnetization   Giovanni Cantele
• [Pw_forum] Magnetization   BARRETEAU Cyrille
• [Pw_forum] Magnetization   fadwa fad
• [Pw_forum] Magnetization on the Fe atom doped on the graphene   David Foster
• [Pw_forum] Magnetization on the Fe atom doped on the graphene   庞瑞(PANG Rui)
• [Pw_forum] Magnetization on the Fe atom doped on the graphene   David Foster
• [Pw_forum] MSSC2015 Ab initio Modelling in Solid State Chemistry   Layla Martin-Samos
• [Pw_forum] neb calculation - self covergence not achieved   Raj kamal
• [Pw_forum] need explanation for projwfc.x output   Raj kamal
• [Pw_forum] need explanation for projwfc.x output   Giovanni Cantele
• [Pw_forum] non-academic institutions using QE   Andrea Floris
• [Pw_forum] no scf started for huge system   Ludwig, Stephan
• [Pw_forum] no scf started for huge system   Ludwig, Stephan
• [Pw_forum] no scf started for huge system   Gabriel Greene
• [Pw_forum] no scf started for huge system   Gabriel Greene
• [Pw_forum] no scf started for huge system   Paolo Giannozzi
• [Pw_forum] no scf started for huge system   Ludwig, Stephan
• [Pw_forum] no scf started for huge system   Ludwig, Stephan
• [Pw_forum] no scf started for huge system   Ludwig, Stephan
• [Pw_forum] no scf started for huge system   nicola varini
• [Pw_forum] no scf started for huge system   Axel Kohlmeyer
• [Pw_forum] no scf started for huge system   Ludwig, Stephan
• [Pw_forum] no scf started for huge system   Stefano de Gironcoli
• [Pw_forum] no scf started for huge system   Ludwig, Stephan
• [Pw_forum] no scf started for huge system   Stefano de Gironcoli
• [Pw_forum] no scf started for huge system   Ludwig, Stephan
• [Pw_forum] no scf started for huge system   Paolo Giannozzi
• [Pw_forum] PAW+HSE in QE 5.2   DHIRENDRA VAIDYA
• [Pw_forum] PAW+HSE in QE 5.2   Paolo Giannozzi
• [Pw_forum] pdos calculation for lithium -creates 2p orbital output file -impossible   Raj kamal
• [Pw_forum] pdos calculation for lithium -creates 2p orbital output file -impossible   Giovanni Cantele
• [Pw_forum] ph.x output files in an electron-phonon interaction calculation   Fred Yang
• [Pw_forum] phonon calculation in Ni on 7x7x7 mesh problem.   German Samolyuk
• [Pw_forum] phonon calculation in Ni on 7x7x7 mesh problem.   Paolo Giannozzi
• [Pw_forum] phonon calculation in Ni on 7x7x7 mesh problem.   Andrea Dal Corso
• [Pw_forum] phonon calculation in Ni on 7x7x7 mesh problem.   Nicola Marzari
• [Pw_forum] phonon calculation in Ni on 7x7x7 mesh problem.   German Samolyuk
• [Pw_forum] Phonon of single layer MoS2   Shopping
• [Pw_forum] Phonon of single layer MoS2   Paolo Giannozzi
• [Pw_forum] Phonon of single layer MoS2   Marzari Nicola
• [Pw_forum] Phonon of single layer MoS2   Ari P Seitsonen
• [Pw_forum] Phonon of single layer MoS2   Nicola Marzari
• [Pw_forum] Phonon of single layer MoS2   Suza W
• [Pw_forum] Phonon of single layer MoS2   Jie Peng
• [Pw_forum] Phonon of single layer MoS2   Ariadna Blanca Romero
• [Pw_forum] phonon q2r problem   Ludwig, Stephan
• [Pw_forum] phonon q2r problem   Paolo Giannozzi
• [Pw_forum] phonon q2r problem   Lorenzo Paulatto
• [Pw_forum] phonon q2r problem   Ludwig, Stephan
• [Pw_forum] phonon q2r problem   Paolo Giannozzi
• [Pw_forum] plumed2 in quantum espresso   Matej Huš
• [Pw_forum] plumed2 in quantum espresso   Paolo Giannozzi
• [Pw_forum] problem   Surykant Mishra
• [Pw_forum] problem   Sanjeev Gupta
• [Pw_forum] problem   Surykant Mishra
• [Pw_forum] problem   Surykant Mishra
• [Pw_forum] problem   Bramha Pandey
• [Pw_forum] problem   Surykant Mishra
• [Pw_forum] problem   Bramha Pandey
• [Pw_forum] problem   Surykant Mishra
• [Pw_forum] problem   Paolo Giannozzi
• [Pw_forum] problem -while compiling yambo   chaitanya varma
• [Pw_forum] problem -while compiling yambo   Andrea Ferretti
• [Pw_forum] problem about restarting phonon calculation using different no. of processors   lung Fermin
• [Pw_forum] problem with DFT+U   Tiana Davide
• [Pw_forum] problem with DFT+U   Paolo Giannozzi
• [Pw_forum] Problem with relaxing large system   Nkosinathi Malaza
• [Pw_forum] Problem with relaxing large system   Giovanni Cantele
• [Pw_forum] Problem with relaxing large system   Pascal Boulet
• [Pw_forum] Problem with relaxing large system   Nkosinathi Malaza
• [Pw_forum] projwfc.x crashes when natomwfc iz zero   Paolo Giannozzi
• [Pw_forum] Proper application of LDA+U only on specific orbital of a particular atom   YousafMasood
• [Pw_forum] Proper application of LDA+U only on specific orbital of a particular atom   Tiana Davide
• [Pw_forum] pw2wannier90.x in windows version   Khalid Ibne Masood Khalid
• [Pw_forum] pw2wannier90.x in windows version   Axel Kohlmeyer
• [Pw_forum] pw2wannier90.x in windows version   Khalid Ibne Masood Khalid
• [Pw_forum] Pw_forum Digest, Vol 96, Issue 22   Raj kamal
• [Pw_forum] Pw_forum Digest, Vol 96, Issue 22   Giovanni Cantele
• [Pw_forum] Pw_forum Digest, Vol 96, Issue 22   Lorenzo Paulatto
• [Pw_forum] Pw_forum Digest, Vol 96, Issue 26   Kanak Datta
• [Pw_forum] Question on environ   veronica sanchez
• [Pw_forum] Question on environ   Oliviero Andreussi
• [Pw_forum] Question on environ   veronica sanchez
• [Pw_forum] Raman Spectra   Amreen Bano
• [Pw_forum] raman tensor of every phonon mode   肖瑞春
• [Pw_forum] raman tensor of every phonon mode   Paolo Giannozzi
• [Pw_forum] Regarding XAS calculation   vivek shukla
• [Pw_forum] reply to leommj at usp.br   Athul M
• [Pw_forum] request - Ni-Zn ferrite   chaitanya varma
• [Pw_forum] request - Ni-Zn ferrite   Paolo Giannozzi
• [Pw_forum] request - Ni-Zn ferrite   chaitanya varma
• [Pw_forum] request for INPUT file description as pdf or doc files   chaitanya varma
• [Pw_forum] Restarting nscf/bands calculation   Debnath Talukdar
• [Pw_forum] Restarting nscf/bands calculation   Paolo Giannozzi
• [Pw_forum] Restarting nscf/bands calculation   Lorenzo Paulatto
• [Pw_forum] selection of number of unit cells   chaitanya varma
• [Pw_forum] selection of number of unit cells   Nkosinathi Malaza
• [Pw_forum] Smearing Problem   Nicola Marzari
• [Pw_forum] Smearing Problem   paresh rout
• [Pw_forum] Smearing Problem   paresh rout
• [Pw_forum] Smearing Problem   loc duong ding
• [Pw_forum] Smearing Problem   Nicola Marzari
• [Pw_forum] Smearing Problem   paresh rout
• [Pw_forum] Smearing Problem   Nicola Marzari
• [Pw_forum] Smearing Problem   Elham
• [Pw_forum] Smearing Problem   庞瑞(PANG Rui)
• [Pw_forum] Smearing Problem   robert.guzman
• [Pw_forum] Smearing Problem   Elham
• [Pw_forum] Smearing Problem   Elham
• [Pw_forum] Smearing Problem   Nicola Marzari
• [Pw_forum] Smearing Problem   Elham
• [Pw_forum] Spin orbit projwfc error   Rajdeep Banerjee
• [Pw_forum] Structure collapse during relaxation   Naseem Hassan
• [Pw_forum] Structure collapse during relaxation   Arles V. Gil Rebaza
• [Pw_forum] the algorithm of Virtual.x and related reference paper   Yi Wang
• [Pw_forum] too many r-vectors error   Ahmad.Ziaee
• [Pw_forum] too many r-vectors error   Paolo Giannozzi
• [Pw_forum] too many r-vectors error   Arles V. Gil Rebaza
• [Pw_forum] too many r-vectors error   Paolo Giannozzi
• [Pw_forum] TS does not give any imaginary frequency   Muhammad Adnan
• [Pw_forum] Unexpected error occurred in stress calculation with DFT+U+J0 and PAW   Takenaka, Hiroyuki
• [Pw_forum] Unexpected error occurred in stress calculation with DFT+U+J0 and PAW   Paolo Giannozzi
• [Pw_forum] VASP pseudo potentials   James Mao
• [Pw_forum] VASP pseudo potentials   Giovanni Cantele
• [Pw_forum] wf_collect and postprocessing   Manjusha Chugh
• [Pw_forum] wf_collect and postprocessing   Paolo Giannozzi
• [Pw_forum] wf_collect and postprocessing   Manjusha Chugh
• [Pw_forum] wf_collect and postprocessing   Manjusha Chugh
• [Pw_forum] wf_collect and postprocessing   Paolo Giannozzi
• [Pw_forum] Wrong atomic volume for bader charge   YousafMasood
• [Pw_forum] YBa2Cu3O7 input file.   Osmair Vital Osmair
• [Pw_forum] 回复： raman tensor of every phonon mode   肖瑞春

Last message date: Fri Jul 31 17:16:54 CEST 2015
Archived on: Wed Feb 28 11:13:05 CET 2018

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