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• • [Pw_forum] using pp.x to calculate psi^2 Hongze Xia
  • [Pw_forum] using pp.x to calculate psi^2 Paolo Giannozzi
  • [Pw_forum] using pp.x to calculate psi^2 Hongze Xia
  • [Pw_forum] using pp.x to calculate psi^2 Robert Hembree
  • [Pw_forum] using pp.x to calculate psi^2 Hongze Xia
• [Pw_forum] Mo pseudopotential Ary Junior
  • [Pw_forum] Mo pseudopotential [email protected]
  • [Pw_forum] Mo pseudopotential Andrea Dal Corso
• [Pw_forum] Pw_forum Digest, Vol 69, Issue 25 Satyananda Chab
• [Pw_forum] Reg: convergence of phonon Aaditya Manjanath
  • [Pw_forum] Reg: convergence of phonon Derek Stewart
• [Pw_forum] Optimal use of bfgs_ndim? Guido Fratesi
• [Pw_forum] Reg: convergence of phonon Swetarekha Ram
• [Pw_forum] Pw_forum Digest, Vol 69, Issue 23 Kopinjol Baishya
  • [Pw_forum] Pw_forum Digest, Vol 69, Issue 23 Lorenzo Paulatto
• [Pw_forum] phonon calculation in finite temperature wangwei
  • [Pw_forum] phonon calculation in finite temperature Yue-Wen Fang
  • [Pw_forum] phonon calculation in finite temperature Jia Chen
• [Pw_forum] nscf calculation error Kopinjol Baishya
  • [Pw_forum] nscf calculation error GAO Zhe
  • [Pw_forum] nscf calculation error Lorenzo Paulatto
• [Pw_forum] QE gpu installation Ben Palmer
  • [Pw_forum] QE gpu installation Sonu Kumar
  • [Pw_forum] QE gpu installation Ben Palmer
• [Pw_forum] band structure of using electric field Mahdi Faghih nasiri
  • [Pw_forum] bandstructure by using electric field Mahdi Faghih nasiri
• [Pw_forum] ★ Hadi left a gift for you on Badoo... Badoo
• [Pw_forum] Pw_forum Digest, Vol 69, Issue 20 Aaditya Manjanath
  • [Pw_forum] Pw_forum Digest, Vol 69, Issue 20 Lorenzo Paulatto
  • [Pw_forum] Pw_forum Digest, Vol 69, Issue 20 Lorenzo Paulatto
• [Pw_forum] Problem in d3.x calculation, espresso-5.0.2 Aaditya Manjanath
  • [Pw_forum] Problem in d3.x calculation, espresso-5.0.2 Lorenzo Paulatto
• [Pw_forum] A question about elphon songzhida
• [Pw_forum] No Subject ali kazempour
  • [Pw_forum] no subject Masoud Nahali
  • [Pw_forum] no subject stefano de gironcoli
• [Pw_forum] Unreadable .ps yelena
  • [Pw_forum] Unreadable .ps Lorenzo Paulatto
  • [Pw_forum] Unreadable .ps yelena
  • [Pw_forum] Unreadable .ps Lorenzo Paulatto
  • [Pw_forum] Unreadable .ps yelena
• [Pw_forum] Electronic band structures for primitive and conventional unit cells pascal boulet
  • [Pw_forum] Electronic band structures for primitive and conventional unit cells Gabriele Sclauzero
  • [Pw_forum] Electronic band structures for primitive and conventional unit cells Yun Wang
  • [Pw_forum] Electronic band structures for primitive and conventional unit cells pascal boulet
• [Pw_forum] Debugging BAND.X in PWGUI - 5.0.2 - reg., MUTHU V
• [Pw_forum] Controlling the convergence threshold of the exchange error in HSE calculation Simon Binnie
• [Pw_forum] Controlling the convergence threshold of the exchange error in HSE calculation Robert Hembree
  • [Pw_forum] Controlling the convergence threshold of the exchange error in HSE calculation Paolo Giannozzi
• [Pw_forum] The definition of rho0 in pp's generation？ Yue-Wen Fang
  • [Pw_forum] The definition of rho0 in pp's generation？ Paolo Giannozzi
  • [Pw_forum] The definition of rho0 in pp's generation？ Yue-Wen Fang
• [Pw_forum] matdyn.x calculation , forrtl: severe (64): input conversion error ????
• [Pw_forum] PWscf & GPUs Ben Palmer
  • [Pw_forum] PWscf & GPUs Sonu Kumar
  • [Pw_forum] PWscf & GPUs Ben Palmer
• [Pw_forum] Debugging BAND.X regarding mail. MUTHU V
• [Pw_forum] Negative phonon frequencies in rotational modes neclaoz
• [Pw_forum] post-processing for band structure yelena
  • [Pw_forum] post-processing for band structure Paolo Giannozzi
• [Pw_forum] big difference between "total magnetization" and "absolute magnetization" for 4f elements 琨陶
  • [Pw_forum] big difference between "total magnetization" and "absolute magnetization" for 4f elements Stefano de Gironcoli
  • [Pw_forum] big difference between "total magnetization" and "absolute magnetization" for 4f elements 琨陶
  • [Pw_forum] big difference between "total magnetization" and "absolute magnetization" for 4f elements Andrei Malashevich
  • [Pw_forum] big difference between "total magnetization" and "absolute magnetization" for 4f elements 琨陶
  • [Pw_forum] big difference between "total magnetization" and "absolute magnetization" for 4f elements mohnish pandey
  • [Pw_forum] big difference between "total magnetization" and "absolute magnetization" for 4f elements 琨陶
  • [Pw_forum] big difference between "total magnetization" and "absolute magnetization" for 4f elements Stefano de Gironcoli
  • [Pw_forum] big difference between "total magnetization" and "absolute magnetization" for 4f elements 琨陶
  • [Pw_forum] big difference between "total magnetization" and "absolute magnetization" for 4f elements 琨陶
• [Pw_forum] problem with bands.x and iotk Krishna chaitanya
  • [Pw_forum] problem with bands.x and iotk Ali KACHMAR
  • [Pw_forum] problem with bands.x and iotk Krishna chaitanya
  • [Pw_forum] problem with bands.x and iotk Paolo Giannozzi
  • [Pw_forum] problem with bands.x and iotk Krishna chaitanya
• [Pw_forum] bands_FS.x Unknown----ferimi surface problem Small
• [Pw_forum] The problem on PDOS Cao TF
• [Pw_forum] a question on pseudopotential generation Yue-Wen Fang
  • [Pw_forum] a question on pseudopotential generation Lorenzo Paulatto
  • [Pw_forum] a question on pseudopotential generation Yue-Wen Fang
  • [Pw_forum] a question on pseudopotential generation Lorenzo Paulatto
  • [Pw_forum] a question on pseudopotential generation Yue-Wen Fang
• [Pw_forum] Postdoc position available at The Molecular Foundry, Lawrence Berkeley National Laboratory David Prendergast
• [Pw_forum] problem with el-ph calculation: lambda.x run mousumi uk
  • [Pw_forum] problem with el-ph calculation: lambda.x run mousumi uk
  • [Pw_forum] Problem with el-ph calculation: lambda.x run W2AGZ
• [Pw_forum] Problem with LDA+U in rutile optimization Franco Bonafé
  • [Pw_forum] Problem with LDA+U in rutile optimization Paolo Giannozzi
  • [Pw_forum] Problem with LDA+U in rutile optimization Giuseppe Mattioli
  • [Pw_forum] Problem with LDA+U in rutile optimization Abdeslam HOUARI
  • [Pw_forum] Problem with LDA+U in rutile optimization Franco Bonafé
  • [Pw_forum] Problem with LDA+U in rutile optimization Alex Smogunov
• [Pw_forum] phonon properties Shiva Mokhavat
  • [Pw_forum] phonon properties Sanjeev Gupta
• [Pw_forum] Non zero "Effective Charges" of Silicon in "example02" xirainbow
• [Pw_forum] surface Sakhrawi Taoufek
  • [Pw_forum] surface Sakhrawi Taoufek
• [Pw_forum] MareNostrum Emmanuel Clouet
  • [Pw_forum] MareNostrum Jose C. Conesa
  • [Pw_forum] MareNostrum Emmanuel Clouet
  • [Pw_forum] MareNostrum Jose C. Conesa
• [Pw_forum] weighted sum over k-points vikan manmathan
  • [Pw_forum] weighted sum over k-points Lorenzo Paulatto
• [Pw_forum] Fourier interpolation of anharmonic IFCs Aaditya Manjanath
• [Pw_forum] rVV10 Yun Wang
  • [Pw_forum] rVV10 Yue-Wen Fang
  • [Pw_forum] rVV10 Yun Wang
• [Pw_forum] saw-like potential Farzad Shirazian
• [Pw_forum] Total Energy doesn't converge upon increase in Ecutwfc Han Chueh
  • [Pw_forum] Total Energy doesn't converge upon increase in Ecutwfc Ali KACHMAR
• [Pw_forum] Logarithmic derivative and US pseudopotentials Yves Ferro
• [Pw_forum] Still Error in Execution while linked with Intel MKL - 11.0 64-bit : QE-5.0.2 Nisha Agrawal
• [Pw_forum] is it orthorhombic or triclinic? Krishna chaitanya
  • [Pw_forum] is it orthorhombic or triclinic? Gabriele Sclauzero
  • [Pw_forum] is it orthorhombic or triclinic? Eduardo Ariel Menendez Proupin
• [Pw_forum] Error in Execution while linked with Intel MKL - 11.0 64-bit : QE-5.0.2 Nisha Agrawal
  • [Pw_forum] Error in Execution while linked with Intel MKL - 11.0 64-bit : QE-5.0.2 mohnish pandey
  • [Pw_forum] Error in Execution while linked with Intel MKL - 11.0 64-bit : QE-5.0.2 Prasenjit Ghosh
  • [Pw_forum] Error in Execution while linked with Intel MKL - 11.0 64-bit : QE-5.0.2 Nisha Agrawal
  • [Pw_forum] Error in Execution while linked with Intel MKL - 11.0 64-bit : QE-5.0.2 Nisha Agrawal
  • [Pw_forum] Error in Execution while linked with Intel MKL - 11.0 64-bit : QE-5.0.2 Paolo Giannozzi
  • [Pw_forum] Error in Execution while linked with Intel MKL - 11.0 64-bit : QE-5.0.2 Nisha Agrawal
  • [Pw_forum] Error in Execution while linked with Intel MKL - 11.0 64-bit : QE-5.0.2 Axel Kohlmeyer
  • [Pw_forum] Error in Execution while linked with Intel MKL - 11.0 64-bit : QE-5.0.2 Lorenzo Paulatto
  • [Pw_forum] Error in Execution while linked with Intel MKL - 11.0 64-bit : QE-5.0.2 Nisha Agrawal
  • [Pw_forum] Error in Execution while linked with Intel MKL - 11.0 64-bit : QE-5.0.2 Lorenzo Paulatto
  • [Pw_forum] Error in Execution while linked with Intel MKL - 11.0 64-bit : QE-5.0.2 Paolo Giannozzi
  • [Pw_forum] Error in Execution while linked with Intel MKL - 11.0 64-bit : QE-5.0.2 Nisha Agrawal
• [Pw_forum] pseudo-potential from dacapo loc duong ding
• [Pw_forum] minor bug in adaptive_thr guido petretto
  • [Pw_forum] minor bug in adaptive_thr Simon Binnie
  • [Pw_forum] minor bug in adaptive_thr guido petretto
• [Pw_forum] PP.X error in calculating HOMO level Rui Li
  • [Pw_forum] PP.X error in calculating HOMO level Paolo Giannozzi
  • [Pw_forum] PP.X error in calculating HOMO level Rui Li
  • [Pw_forum] PP.X error in calculating HOMO level Paolo Giannozzi
• [Pw_forum] Wave function files Vo, Trinh (388C)
  • [Pw_forum] Wave function files Paolo Giannozzi
  • [Pw_forum] Wave function files Vo, Trinh (388C)
  • [Pw_forum] Wave function files Vo, Trinh (388C)
  • [Pw_forum] Wave function files Gabriele Sclauzero
  • [Pw_forum] Wave function files Vo, Trinh (388C)
• [Pw_forum] uspp2upf.x is giving error Krishna chaitanya
  • [Pw_forum] uspp2upf.x is giving error Paolo Giannozzi
  • [Pw_forum] uspp2upf.x is giving error Krishna chaitanya
  • [Pw_forum] uspp2upf.x is giving error Paolo Giannozzi
  • [Pw_forum] uspp2upf.x is giving error Krishna chaitanya
• [Pw_forum] unsubscribe Raghuvir R. S. Pissurlenkar
  • [Pw_forum] unsubscribe Ali KACHMAR
• [Pw_forum] a band-gap problem Marzieh Salimi
  • [Pw_forum] a band-gap problem Paolo Giannozzi
• [Pw_forum] Phonon DOS problem Jiayi Yan
• [Pw_forum] Changing nr3 Varadharajan Srinivasan
  • [Pw_forum] Changing nr3 Paolo Giannozzi
  • [Pw_forum] Changing nr3 Varadharajan Srinivasan
  • [Pw_forum] Changing nr3 Paolo Giannozzi
  • [Pw_forum] Changing nr3 Bramha Pandey
  • [Pw_forum] Changing nr3 Lorenzo Paulatto
  • [Pw_forum] Changing nr3 Varadharajan Srinivasan
  • [Pw_forum] Changing nr3 Lorenzo Paulatto
• [Pw_forum] Question on bulk modulus Chukwuemeka Okoye
  • [Pw_forum] Question on bulk modulus Paolo Giannozzi
• [Pw_forum] electron-phonon with option 'simple' Natalia Pavlenko
• [Pw_forum] ph.x and fildrho-file Sergey Nikolaev
• [Pw_forum] gamma_only problem with bands.x Surender
  • [Pw_forum] gamma_only problem with bands.x Prasenjit Ghosh
  • [Pw_forum] gamma_only problem with bands.x Lorenzo Paulatto
  • [Pw_forum] gamma_only problem with bands.x Surender
• [Pw_forum] coefficients of wavefunctions John Chan
  • [Pw_forum] coefficients of wavefunctions John Chan
• [Pw_forum] Forces in full LDA+U scheme are not yet implemented Izaak Williamson
  • [Pw_forum] Forces in full LDA+U scheme are not yet implemented Burak Himmetoglu
• [Pw_forum] Confusion about band structure zafar rasheed
  • [Pw_forum] Confusion about band structure Giuseppe Mattioli
• [Pw_forum] charge density data in pp.x Ruibin Liu
  • [Pw_forum] charge density data in pp.x Ruibin Liu
  • [Pw_forum] charge density data in pp.x Paolo Giannozzi
  • [Pw_forum] charge density data in pp.x Ruibin Liu
  • [Pw_forum] charge density data in pp.x Paolo Giannozzi
  • [Pw_forum] charge density data in pp.x Ruibin Liu
• [Pw_forum] Postdoctoral Research Associate Position Opening at BNL Deyu Lu
• [Pw_forum] ev.x with parallel execution Sakhrawi Taoufek
  • [Pw_forum] ev.x with parallel execution Paolo Giannozzi
  • [Pw_forum] ev.x with parallel execution Ali KACHMAR
• [Pw_forum] Pw_forum Digest, Vol 68, Issue 29 Shamsu Abubakar
• [Pw_forum] Technique for converging Ecut and K-points? Ben Palmer
  • [Pw_forum] Technique for converging Ecut and K-points? Ali KACHMAR
  • [Pw_forum] Technique for converging Ecut and K-points? Stefano de Gironcoli
  • [Pw_forum] Technique for converging Ecut and K-points? Stefano de Gironcoli
  • [Pw_forum] Technique for converging Ecut and K-points? Ali KACHMAR
  • [Pw_forum] Technique for converging Ecut and K-points? Maxim Popov
  • [Pw_forum] Technique for converging Ecut and K-points? Ben Palmer
  • [Pw_forum] Technique for converging Ecut and K-points? Ben Palmer
  • [Pw_forum] Technique for converging Ecut and K-points? Dmitry Korotin
  • [Pw_forum] Technique for converging Ecut and K-points? Stefano de Gironcoli
  • [Pw_forum] Technique for converging Ecut and K-points? Ben Palmer
  • [Pw_forum] Technique for converging Ecut and K-points? Ben Palmer
  • [Pw_forum] Technique for converging Ecut and K-points? Nicola Marzari
  • [Pw_forum] Technique for converging Ecut and K-points? Ben Palmer
  • [Pw_forum] Technique for converging Ecut and K-points? Ben Palmer

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