pw_forum

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2013/04/02 [Pw_forum] Wrong occupation number for f electrons Paolo Giannozzi
2013/04/02 [Pw_forum] PW is frozen Paolo Giannozzi
2013/04/02 [Pw_forum] problems with pressure calculation Paolo Giannozzi
2013/04/02 [Pw_forum] Problem in QHA zafar rasheed
2013/04/02 [Pw_forum] How to set starting_magnetization？ Yue-Wen Fang
2013/04/02 [Pw_forum] How to set starting_magnetization？ Lorenzo Paulatto
2013/04/01 [Pw_forum] How to set starting_magnetization？ Yue-Wen Fang
2013/04/01 [Pw_forum] problems with pressure calculation Eduardo Ariel Menendez Proupin
2013/03/29 [Pw_forum] Wrong occupation number for f electrons 琨陶
2013/03/29 [Pw_forum] Question on the wsweight subroutine Lorenzo Paulatto
2013/03/29 [Pw_forum] Question on the wsweight subroutine Aaditya Manjanath
2013/03/29 [Pw_forum] Mo pseudopotential Andrea Dal Corso
2013/03/29 [Pw_forum] PW is frozen Sergey Lisenkov
2013/03/29 [Pw_forum] Too many r-vectors? Wei Zhou
2013/03/29 [Pw_forum] choosing pseudopotential Никита Вакула
2013/03/29 [Pw_forum] PW is frozen TRINITE Virginie
2013/03/28 [Pw_forum] band paralellization paper on Quantum-ESPRESSO nicola varini
2013/03/28 [Pw_forum] Too many r-vectors? Paolo Giannozzi
2013/03/28 [Pw_forum] phonon calculation in finite temperature Jia Chen
2013/03/28 [Pw_forum] phonon calculation in finite temperature Yue-Wen Fang
2013/03/27 [Pw_forum] Electronic entropy Nicolas FERNANDEZ
2013/03/27 [Pw_forum] Electronic entropy Lorenzo Paulatto
2013/03/27 [Pw_forum] Electronic entropy Matteo Cococcioni
2013/03/27 [Pw_forum] Electronic entropy Nicolas FERNANDEZ
2013/03/26 [Pw_forum] bandstructure by using electric field Mahdi Faghih nasiri
2013/03/26 [Pw_forum] using pp.x to calculate psi^2 Hongze Xia
2013/03/26 [Pw_forum] Mo pseudopotential [email protected]
2013/03/26 [Pw_forum] Too many r-vectors? Wei Zhou
2013/03/26 [Pw_forum] Mo pseudopotential Ary Junior
2013/03/26 [Pw_forum] Reg: convergence of phonon Derek Stewart
2013/03/26 [Pw_forum] Pw_forum Digest, Vol 69, Issue 25 Satyananda Chab
2013/03/26 [Pw_forum] Reg: convergence of phonon Aaditya Manjanath
2013/03/26 [Pw_forum] supercell Anik Shrivastava
2013/03/25 [Pw_forum] Optimal use of bfgs_ndim? Guido Fratesi
2013/03/25 [Pw_forum] Reg: convergence of phonon Swetarekha Ram
2013/03/25 [Pw_forum] Pw_forum Digest, Vol 69, Issue 23 Lorenzo Paulatto
2013/03/25 [Pw_forum] Pw_forum Digest, Vol 69, Issue 23 Kopinjol Baishya
2013/03/24 [Pw_forum] phonon calculation in finite temperature wangwei
2013/03/24 [Pw_forum] nscf calculation error Lorenzo Paulatto
2013/03/24 [Pw_forum] nscf calculation error GAO Zhe
2013/03/23 [Pw_forum] nscf calculation error Kopinjol Baishya
2013/03/23 [Pw_forum] QE gpu installation Ben Palmer
2013/03/23 [Pw_forum] problem with bands.x and iotk Krishna chaitanya
2013/03/22 [Pw_forum] QE gpu installation Sonu Kumar
2013/03/22 [Pw_forum] QE gpu installation Ben Palmer
2013/03/21 [Pw_forum] band structure of using electric field Mahdi Faghih nasiri
2013/03/20 [Pw_forum] problem with bands.x and iotk Paolo Giannozzi
2013/03/20 [Pw_forum] ★ Hadi left a gift for you on Badoo... Badoo
2013/03/20 [Pw_forum] Pw_forum Digest, Vol 69, Issue 20 Lorenzo Paulatto
2013/03/20 [Pw_forum] Pw_forum Digest, Vol 69, Issue 20 Lorenzo Paulatto
2013/03/20 [Pw_forum] problem with bands.x and iotk Krishna chaitanya
2013/03/20 [Pw_forum] Pw_forum Digest, Vol 69, Issue 20 Aaditya Manjanath
2013/03/20 [Pw_forum] Problem in d3.x calculation, espresso-5.0.2 Lorenzo Paulatto
2013/03/20 [Pw_forum] Problem in d3.x calculation, espresso-5.0.2 Aaditya Manjanath
2013/03/19 [Pw_forum] A question about elphon songzhida
2013/03/19 [Pw_forum] Unreadable .ps yelena
2013/03/19 [Pw_forum] Unreadable .ps Lorenzo Paulatto
2013/03/19 [Pw_forum] Unreadable .ps yelena
2013/03/19 [Pw_forum] No Subject ali kazempour
2013/03/19 [Pw_forum] Electronic band structures for primitive and conventional unit cells pascal boulet
2013/03/18 [Pw_forum] Unreadable .ps Lorenzo Paulatto
2013/03/18 [Pw_forum] Electronic band structures for primitive and conventional unit cells Yun Wang
2013/03/18 [Pw_forum] Unreadable .ps yelena
2013/03/18 [Pw_forum] Electronic band structures for primitive and conventional unit cells Gabriele Sclauzero
2013/03/18 [Pw_forum] Electronic band structures for primitive and conventional unit cells pascal boulet
2013/03/18 [Pw_forum] (no subject) mohnish pandey
2013/03/18 [Pw_forum] (no subject) shruti shukla
2013/03/17 [Pw_forum] Debugging BAND.X in PWGUI - 5.0.2 - reg., MUTHU V
2013/03/16 [Pw_forum] The definition of rho0 in pp's generation？ Yue-Wen Fang
2013/03/16 [Pw_forum] Controlling the convergence threshold of the exchange error in HSE calculation Simon Binnie
2013/03/15 [Pw_forum] rVV10 Yun Wang
2013/03/15 [Pw_forum] The definition of rho0 in pp's generation？ Paolo Giannozzi
2013/03/15 [Pw_forum] Controlling the convergence threshold of the exchange error in HSE calculation Paolo Giannozzi
2013/03/15 [Pw_forum] On Lowdin charges (again) Paolo Giannozzi
2013/03/15 [Pw_forum] Controlling the convergence threshold of the exchange error in HSE calculation Robert Hembree
2013/03/15 [Pw_forum] On Lowdin charges (again) [email protected]
2013/03/15 [Pw_forum] rVV10 Yue-Wen Fang
2013/03/15 [Pw_forum] The definition of rho0 in pp's generation？ Yue-Wen Fang
2013/03/15 [Pw_forum] a question on pseudopotential generation Yue-Wen Fang
2013/03/14 [Pw_forum] matdyn.x calculation , forrtl: severe (64): input conversion error ????
2013/03/14 [Pw_forum] big difference between "total magnetization" and "absolute magnetization" for 4f elements 琨陶
2013/03/14 [Pw_forum] PWscf & GPUs Ben Palmer
2013/03/14 [Pw_forum] PWscf & GPUs Sonu Kumar
2013/03/14 [Pw_forum] PWscf & GPUs Ben Palmer
2013/03/14 [Pw_forum] big difference between "total magnetization" and "absolute magnetization" for 4f elements 琨陶
2013/03/14 [Pw_forum] Debugging BAND.X regarding mail. MUTHU V
2013/03/14 [Pw_forum] big difference between "total magnetization" and "absolute magnetization" for 4f elements Stefano de Gironcoli
2013/03/13 [Pw_forum] big difference between "total magnetization" and "absolute magnetization" for 4f elements 琨陶
2013/03/13 [Pw_forum] post-processing for band structure Paolo Giannozzi
2013/03/13 [Pw_forum] Wave function files Vo, Trinh (388C)
2013/03/13 [Pw_forum] big difference between "total magnetization" and "absolute magnetization" for 4f elements mohnish pandey
2013/03/13 [Pw_forum] is it orthorhombic or triclinic? Eduardo Ariel Menendez Proupin
2013/03/13 [Pw_forum] big difference between "total magnetization" and "absolute magnetization" for 4f elements 琨陶
2013/03/13 [Pw_forum] big difference between "total magnetization" and "absolute magnetization" for 4f elements Andrei Malashevich
2013/03/13 [Pw_forum] Negative phonon frequencies in rotational modes neclaoz
2013/03/13 [Pw_forum] big difference between "total magnetization" and "absolute magnetization" for 4f elements 琨陶
2013/03/13 [Pw_forum] big difference between "total magnetization" and "absolute magnetization" for 4f elements Stefano de Gironcoli
2013/03/13 [Pw_forum] post-processing for band structure yelena
2013/03/13 [Pw_forum] big difference between "total magnetization" and "absolute magnetization" for 4f elements 琨陶
2013/03/13 [Pw_forum] problem with bands.x and iotk Ali KACHMAR
2013/03/13 [Pw_forum] problem with bands.x and iotk Krishna chaitanya
2013/03/12 [Pw_forum] bands_FS.x Unknown----ferimi surface problem Small
2013/03/12 [Pw_forum] The problem on PDOS Cao TF
2013/03/12 [Pw_forum] a question on pseudopotential generation Lorenzo Paulatto
2013/03/12 [Pw_forum] a question on pseudopotential generation Yue-Wen Fang
2013/03/12 [Pw_forum] is it orthorhombic or triclinic? Gabriele Sclauzero
2013/03/12 [Pw_forum] Wave function files Gabriele Sclauzero
2013/03/12 [Pw_forum] a question on pseudopotential generation Lorenzo Paulatto
2013/03/12 [Pw_forum] a question on pseudopotential generation Yue-Wen Fang
2013/03/12 [Pw_forum] problem with el-ph calculation: lambda.x run mousumi uk
2013/03/11 [Pw_forum] Postdoc position available at The Molecular Foundry, Lawrence Berkeley National Laboratory David Prendergast
2013/03/11 [Pw_forum] Problem with LDA+U in rutile optimization Alex Smogunov
2013/03/11 [Pw_forum] Problem with LDA+U in rutile optimization Franco Bonafé
2013/03/11 [Pw_forum] Problem with LDA+U in rutile optimization Abdeslam HOUARI
2013/03/11 [Pw_forum] problem with el-ph calculation: lambda.x run mousumi uk
2013/03/11 [Pw_forum] Problem with LDA+U in rutile optimization Giuseppe Mattioli
2013/03/11 [Pw_forum] Problem with LDA+U in rutile optimization Paolo Giannozzi
2013/03/11 [Pw_forum] Problem with LDA+U in rutile optimization Franco Bonafé
2013/03/10 [Pw_forum] Error in Execution while linked with Intel MKL - 11.0 64-bit : QE-5.0.2 Paolo Giannozzi
2013/03/10 [Pw_forum] phonon properties Sanjeev Gupta
2013/03/10 [Pw_forum] phonon properties Shiva Mokhavat
2013/03/10 [Pw_forum] Non zero "Effective Charges" of Silicon in "example02" xirainbow
2013/03/10 [Pw_forum] surface Sakhrawi Taoufek
2013/03/10 [Pw_forum] surface Sakhrawi Taoufek
2013/03/09 [Pw_forum] MareNostrum Jose C. Conesa
2013/03/09 [Pw_forum] MareNostrum Emmanuel Clouet
2013/03/08 [Pw_forum] MareNostrum Jose C. Conesa
2013/03/08 [Pw_forum] MareNostrum Emmanuel Clouet
2013/03/08 [Pw_forum] weighted sum over k-points Lorenzo Paulatto
2013/03/08 [Pw_forum] weighted sum over k-points vikan manmathan
2013/03/08 [Pw_forum] Fourier interpolation of anharmonic IFCs Aaditya Manjanath
2013/03/07 [Pw_forum] too many bands are not converged Sonu Kumar
2013/03/07 [Pw_forum] too many bands are not converged Bramha Pandey
2013/03/07 [Pw_forum] rVV10 Yun Wang
2013/03/07 [Pw_forum] too many bands are not converged Banafshe Noori
2013/03/07 [Pw_forum] saw-like potential Farzad Shirazian
2013/03/07 [Pw_forum] Error in Execution while linked with Intel MKL - 11.0 64-bit : QE-5.0.2 Lorenzo Paulatto
2013/03/07 [Pw_forum] Error in Execution while linked with Intel MKL - 11.0 64-bit : QE-5.0.2 Nisha Agrawal
2013/03/07 [Pw_forum] Error in Execution while linked with Intel MKL - 11.0 64-bit : QE-5.0.2 Nisha Agrawal
2013/03/07 [Pw_forum] Error in Execution while linked with Intel MKL - 11.0 64-bit : QE-5.0.2 Lorenzo Paulatto
2013/03/07 [Pw_forum] Error in Execution while linked with Intel MKL - 11.0 64-bit : QE-5.0.2 Axel Kohlmeyer
2013/03/07 [Pw_forum] Error in Execution while linked with Intel MKL - 11.0 64-bit : QE-5.0.2 Nisha Agrawal
2013/03/06 [Pw_forum] Total Energy doesn't converge upon increase in Ecutwfc Ali KACHMAR
2013/03/06 [Pw_forum] question Banafshe Noori
2013/03/06 [Pw_forum] Error in Execution while linked with Intel MKL - 11.0 64-bit : QE-5.0.2 Paolo Giannozzi
2013/03/06 [Pw_forum] Total Energy doesn't converge upon increase in Ecutwfc Han Chueh
2013/03/06 [Pw_forum] Logarithmic derivative and US pseudopotentials Yves Ferro
2013/03/06 [Pw_forum] Error in Execution while linked with Intel MKL - 11.0 64-bit : QE-5.0.2 Nisha Agrawal
2013/03/06 [Pw_forum] Error in Execution while linked with Intel MKL - 11.0 64-bit : QE-5.0.2 Nisha Agrawal
2013/03/06 [Pw_forum] Still Error in Execution while linked with Intel MKL - 11.0 64-bit : QE-5.0.2 Nisha Agrawal
2013/03/06 [Pw_forum] is it orthorhombic or triclinic? Krishna chaitanya
2013/03/06 [Pw_forum] minor bug in adaptive_thr guido petretto
2013/03/05 [Pw_forum] Error in Execution while linked with Intel MKL - 11.0 64-bit : QE-5.0.2 Prasenjit Ghosh
2013/03/05 [Pw_forum] Error in Execution while linked with Intel MKL - 11.0 64-bit : QE-5.0.2 mohnish pandey
2013/03/05 [Pw_forum] Error in Execution while linked with Intel MKL - 11.0 64-bit : QE-5.0.2 Nisha Agrawal
2013/03/05 [Pw_forum] Wave function files Vo, Trinh (388C)
2013/03/05 [Pw_forum] minor bug in adaptive_thr Simon Binnie
2013/03/05 [Pw_forum] Wave function files Vo, Trinh (388C)
2013/03/05 [Pw_forum] pseudo-potential from dacapo loc duong ding
2013/03/05 [Pw_forum] minor bug in adaptive_thr guido petretto
2013/03/05 [Pw_forum] PP.X error in calculating HOMO level Paolo Giannozzi
2013/03/05 [Pw_forum] PP.X error in calculating HOMO level Rui Li
2013/03/05 [Pw_forum] PP.X error in calculating HOMO level Paolo Giannozzi
2013/03/05 [Pw_forum] PP.X error in calculating HOMO level Rui Li
2013/03/05 [Pw_forum] Wave function files Paolo Giannozzi
2013/03/04 [Pw_forum] Changing nr3 Lorenzo Paulatto
2013/03/04 [Pw_forum] Wave function files Vo, Trinh (388C)
2013/03/04 [Pw_forum] wave function in r mesh and cube format Robert Hembree
2013/03/04 [Pw_forum] unsubscribe Ali KACHMAR
2013/03/04 [Pw_forum] uspp2upf.x is giving error Krishna chaitanya
2013/03/04 [Pw_forum] uspp2upf.x is giving error Paolo Giannozzi
2013/03/04 [Pw_forum] uspp2upf.x is giving error Krishna chaitanya
2013/03/04 [Pw_forum] wave function in r mesh and cube format Paolo Giannozzi
2013/03/04 [Pw_forum] uspp2upf.x is giving error Paolo Giannozzi
2013/03/04 [Pw_forum] wave function in r mesh and cube format [email protected]
2013/03/04 [Pw_forum] wave function in r mesh and cube format Paolo Giannozzi
2013/03/04 [Pw_forum] wave function in r mesh and cube format [email protected]
2013/03/04 [Pw_forum] a band-gap problem Paolo Giannozzi
2013/03/04 [Pw_forum] wave function in r mesh and cube format Paolo Giannozzi
2013/03/03 [Pw_forum] uspp2upf.x is giving error Krishna chaitanya
2013/03/03 [Pw_forum] Changing nr3 Varadharajan Srinivasan
2013/03/03 [Pw_forum] unsubscribe Raghuvir R. S. Pissurlenkar
2013/03/03 [Pw_forum] Technique for converging Ecut and K-points? Stefano Baroni
2013/03/03 [Pw_forum] Technique for converging Ecut and K-points? Stefano Baroni
2013/03/03 [Pw_forum] wave function in r mesh and cube format [email protected]
2013/03/02 [Pw_forum] a band-gap problem Marzieh Salimi
2013/03/02 [Pw_forum] Phonon DOS problem Jiayi Yan
2013/03/02 [Pw_forum] Changing nr3 Lorenzo Paulatto
2013/03/02 [Pw_forum] Changing nr3 Bramha Pandey
2013/03/02 [Pw_forum] Changing nr3 Paolo Giannozzi
2013/03/02 [Pw_forum] Changing nr3 Varadharajan Srinivasan
2013/03/01 [Pw_forum] Changing nr3 Paolo Giannozzi
2013/03/01 [Pw_forum] Changing nr3 Varadharajan Srinivasan
2013/03/01 [Pw_forum] Question on bulk modulus Paolo Giannozzi
2013/03/01 [Pw_forum] Question on bulk modulus Chukwuemeka Okoye
2013/03/01 [Pw_forum] electron-phonon with option 'simple' Natalia Pavlenko
2013/02/28 [Pw_forum] charge density data in pp.x Ruibin Liu
2013/02/28 [Pw_forum] charge density data in pp.x Paolo Giannozzi
2013/02/28 [Pw_forum] hgh to UPF Layla Martin-Samos
2013/02/28 [Pw_forum] hgh to UPF Carsten