June 2010 Archives by author
Starting: Tue Jun 1 02:05:35 CEST 2010
Ending: Wed Jun 30 17:10:48 CEST 2010
Messages: 330
- [Pw_forum] pseudopotntial for K
Álvaro Alves
- [Pw_forum] "nat_todo",could anyone help me?
Martin Andersson
- [Pw_forum] Phonons with non-collinear magnetism ?
Dal Corso Andrea
- [Pw_forum] error while compiling the start_q, last_q, start_irr and last_irr technique
Dal Corso Andrea
- [Pw_forum] Is it possible to calculate the phonon dos for each branch?
Stefano Baroni
- [Pw_forum] Computing Second order response
Stefano Baroni
- [Pw_forum] Is it possible to calculate the phonon dos for each branch?
Stefano Baroni
- [Pw_forum] Unit cell problem
Stefano Baroni
- [Pw_forum] overlap of atoms
Stefano Baroni
- [Pw_forum] overlap of atoms
Stefano Baroni
- [Pw_forum] PLEASE, USE MESSAGE-SPECIFIC "subject" HEADERS - Re: Pw_forum Digest, Vol 36, Issue 21
Stefano Baroni
- [Pw_forum] Computing Second order response
Stefano Baroni
- [Pw_forum] PP for Rhenium
Stefano Baroni
- [Pw_forum] k_points
Stefano Baroni
- [Pw_forum] PP for Rhenium
Stefano Baroni
- [Pw_forum] Pw_forum Digest, Vol 36, Issue 38
Stefano Baroni
- [Pw_forum] Computing Second order response
Stefano Baroni
- [Pw_forum] Pw_forum Digest, Vol 36, Issue 40
Stefano Baroni
- [Pw_forum] Computing Second order response
Stefano Baroni
- [Pw_forum] Pw_forum Digest, Vol 36, Issue 45
Stefano Baroni
- [Pw_forum] About the flattening of phonon branches
Stefano Baroni
- [Pw_forum] carbon nanotube & copper chain
Stefano Baroni
- [Pw_forum] irreducible representations
Stefano Baroni
- [Pw_forum] GWW for metal
Stefano Baroni
- [Pw_forum] GWW for metal
Stefano Baroni
- [Pw_forum] Freezing computation during geometry optimization using BFGS
Stefano Baroni
- [Pw_forum] pressure derivative of elastic constant
Stefano Baroni
- [Pw_forum] no interaction in my 2-D charge density contour
Stefano Baroni
- [Pw_forum] What's real imaginary frequency of the transition state?
Stefano Baroni
- [Pw_forum] About phonon lifetimes
Goranka Bilalbegovic
- [Pw_forum] how to do fixed volume optimization
Davide Ceresoli
- [Pw_forum] Freezing computation during geometry optimization using BFGS
Ahmet Cicek
- [Pw_forum] strange behaviour in LDA+U calculations
Matteo Cococcioni
- [Pw_forum] total potential plot
Matteo Cococcioni
- [Pw_forum] total potential plot
Matteo Cococcioni
- [Pw_forum] error while compiling the start_q, last_q, start_irr and last_irr technique
Andrea Dal Corso
- [Pw_forum] About the flattening of phonon branches
Reza Ebraahimi
- [Pw_forum] About the flattening of phonon branches
Reza Ebraahimi
- [Pw_forum] mkl problem
Ricardo Faccio
- [Pw_forum] DFT+U
Ricardo Faccio
- [Pw_forum] Phonon frequency calculation
Weyl Fang
- [Pw_forum] Rs: the charge of the individual atom
Weyl Fang
- [Pw_forum] the charge of the individual atom
Weyl Fang
- [Pw_forum] spin multiplicity
Weyl Fang
- [Pw_forum] matdyn.x
Prasenjit Ghosh
- [Pw_forum] checkallsym : error
Paolo Giannozzi
- [Pw_forum] mkl problem
Paolo Giannozzi
- [Pw_forum] checkallsym : error
Paolo Giannozzi
- [Pw_forum] a question about plotrho.x
Paolo Giannozzi
- [Pw_forum] mkl problem
Paolo Giannozzi
- [Pw_forum] vc-relax of a 60 atom supercell
Paolo Giannozzi
- [Pw_forum] Calculating multiple el-ph matrices simultaneously
Paolo Giannozzi
- [Pw_forum] some input parameter
Paolo Giannozzi
- [Pw_forum] error in gamma
Paolo Giannozzi
- [Pw_forum] error in gamma
Paolo Giannozzi
- [Pw_forum] not able to install espresso
Paolo Giannozzi
- [Pw_forum] PP for Rhenium
Paolo Giannozzi
- [Pw_forum] k_points
Paolo Giannozzi
- [Pw_forum] tot_magnetization
Paolo Giannozzi
- [Pw_forum] Wrong Mn Pdos Orbital
Paolo Giannozzi
- [Pw_forum] total potential plot
Paolo Giannozzi
- [Pw_forum] SIGSEGV, segmentation fault occurred
Paolo Giannozzi
- [Pw_forum] BUG: OpenMP in espresso 4.2
Paolo Giannozzi
- [Pw_forum] Zn NCPP pseudopotential
Paolo Giannozzi
- [Pw_forum] Problem in reading PP's taken from QE site?
Paolo Giannozzi
- [Pw_forum] Cohesive energy (was: annoying irrelevant
Paolo Giannozzi
- [Pw_forum] spin multiplicity
Paolo Giannozzi
- [Pw_forum] Problem in reading PP's taken from QE site?
Paolo Giannozzi
- [Pw_forum] pseudo-potential for virtual atom
Paolo Giannozzi
- [Pw_forum] consistent Fe,Se,Te pseudopotential files
Paolo Giannozzi
- [Pw_forum] Bad input (and bad manners) Was: Pw_forum Digest
Paolo Giannozzi
- [Pw_forum] plotrho.x error
Paolo Giannozzi
- [Pw_forum] B3LYP
Paolo Giannozzi
- [Pw_forum] no interaction in my 2-D charge density contour
Paolo Giannozzi
- [Pw_forum] no interaction in my 2-D charge density contour
Paolo Giannozzi
- [Pw_forum] no interaction in my 2-D charge density contour
Paolo Giannozzi
- [Pw_forum] Example-29, "NOTE : eigenvalues are not computed without ortho."
Paolo Giannozzi
- [Pw_forum] Is there a way to fix the c of supercell and vary only a and b
Paolo Giannozzi
- [Pw_forum] meta-GGA (TPSS) PP generation code
Paolo Giannozzi
- [Pw_forum] Cannot reproduce standard CO/Au(111) adsorption energy calculations
Paolo Giannozzi
- [Pw_forum] npool and electron phonon calculation
Paolo Giannozzi
- [Pw_forum] Is there a way to fix the c of supercell and vary only a and b
Paolo Giannozzi
- [Pw_forum] npool and electron phonon calculation
Paolo Giannozzi
- [Pw_forum] PW very sensitive to number of processors and pools
Paolo Giannozzi
- [Pw_forum] norm-conserving potential of Fluorine
Paolo Giannozzi
- [Pw_forum] Eu or Sm Pseudo Potential
Paolo Giannozzi
- [Pw_forum] electrochemical potential
Paolo Giannozzi
- [Pw_forum] How to set nbnd value for berry phase calculations?
Paolo Giannozzi
- [Pw_forum] occupancies of density matrix in LDA+U
Gianluca Giovannetti
- [Pw_forum] occupancies of density matrix in LDA+U
Gianluca Giovannetti
- [Pw_forum] consistent Fe,Se,Te pseudopotential files
Gianluca Giovannetti
- [Pw_forum] consistent Fe,Se,Te pseudopotential files
Gianluca Giovannetti
- [Pw_forum] consistent Fe,Se,Te pseudopotential files
Gianluca Giovannetti
- [Pw_forum] occupancies of density matrix in LDA+U vs output polarization in Lowdin Charges
Gianluca Giovannetti
- [Pw_forum] occupancies of density matrix in LDA+U vs output polarization in Lowdin Charges
Gianluca Giovannetti
- [Pw_forum] PW interfaced with DMFT code
Gianluca Giovannetti
- [Pw_forum] Pw_forum Digest, Vol 36, Issue 23
Stefano de Gironcoli
- [Pw_forum] MnSe-passivation
Stefano de Gironcoli
- [Pw_forum] consistent Fe,Se,Te pseudopotential files
Stefano de Gironcoli
- [Pw_forum] problem with vc-relax and spin-polarization
Stefano de Gironcoli
- [Pw_forum] plotrho.x error
Stefano de Gironcoli
- [Pw_forum] lambda.x problem, espresso 4.2
Stefano de Gironcoli
- [Pw_forum] Energy conservation in Verlet-MD?
Stefano de Gironcoli
- [Pw_forum] electron-phonon coupling and pseudopotential choice
Stefano de Gironcoli
- [Pw_forum] BUG: OpenMP in espresso 4.2
Henning Glawe
- [Pw_forum] lambda.x problem, espresso 4.2
Hanyu
- [Pw_forum] carbon nanotube & copper chain
Mighfar Imam
- [Pw_forum] start_q, last_q, start_irr, last_irr
Eyvaz Isaev
- [Pw_forum] start_q, last_q, start_irr, last_irr
Eyvaz Isaev
- [Pw_forum] davcio error
Eyvaz Isaev
- [Pw_forum] Unit cell problem
Eyvaz Isaev
- [Pw_forum] Unit cell problem
Eyvaz Isaev
- [Pw_forum] right method
Eyvaz Isaev
- [Pw_forum] lambda.x problem, espresso 4.2
Eyvaz Isaev
- [Pw_forum] Cannot reproduce standard CO/Au(111) adsorption energy calculations
Janesko, Benjamin
- [Pw_forum] Pw_forum Digest, Vol 36, Issue 21
Thaneshwor Kaloni
- [Pw_forum] Pw_forum Digest, Vol 36, Issue 23
Thaneshwor Kaloni
- [Pw_forum] Pw_forum Digest, Vol 36, Issue 34
Thaneshwor Kaloni
- [Pw_forum] Pw_forum Digest, Vol 36, Issue 38
Thaneshwor Kaloni
- [Pw_forum] Pw_forum Digest, Vol 36, Issue 40
Thaneshwor Kaloni
- [Pw_forum] Pw_forum Digest, Vol 36, Issue 45
Thaneshwor Kaloni
- [Pw_forum] Pw_forum Digest, Vol 36, Issue 63
Thaneshwor Kaloni
- [Pw_forum] occupancies of density matrix in LDA+U vs output polarization in Lowdin Charges
Dmitry Korotin
- [Pw_forum] How to set nbnd value for berry phase calculations?
Lim Chiang Huay, Freda
- [Pw_forum] LDA psudopotential for La
Tengfei Luo
- [Pw_forum] About 'qcutz', 'q2sigma' and 'ecfixed' in 'vc-relax'
Madan Mithra. L. M
- [Pw_forum] mkl problem
Osman Baris Malcioglu
- [Pw_forum] strange behaviour in LDA+U calculations
Nicola Marzari
- [Pw_forum] carbon nanotube & copper chain
Nicola Marzari
- [Pw_forum] Fwd: different structure under xyz file and scf file for carbon nanotube
Leonardo Matheus
- [Pw_forum] mkl problem
Giuseppe Mattioli
- [Pw_forum] mkl problem
Giuseppe Mattioli
- [Pw_forum] mkl problem
Giuseppe Mattioli
- [Pw_forum] strange behaviour in LDA+U calculations
Giuseppe Mattioli
- [Pw_forum] strange behaviour in LDA+U calculations
Giuseppe Mattioli
- [Pw_forum] PP for Rhenium
Giuseppe Mattioli
- [Pw_forum] PP for Rhenium
Giuseppe Mattioli
- [Pw_forum] PP for Rhenium
Giuseppe Mattioli
- [Pw_forum] Pw_forum Digest, Vol 36, Issue 40
Giuseppe Mattioli
- [Pw_forum] B3LYP
Giuseppe Mattioli
- [Pw_forum] pseudopotential
Giuseppe Mattioli
- [Pw_forum] pseudopotential
Giuseppe Mattioli
- [Pw_forum] LDA+U Ti
Giuseppe Mattioli
- [Pw_forum] Problem with ibrav=0 in supercell calculations
Mark Mazar
- [Pw_forum] start_q, last_q, start_irr, last_irr
Elie Moujaes
- [Pw_forum] start_q, last_q, start_irr, last_irr
Elie Moujaes
- [Pw_forum] error 208, reading namelist cell
Elie Moujaes
- [Pw_forum] error 208, reading namelist cell
Elie Moujaes
- [Pw_forum] error while compiling the start_q, last_q, start_irr and last_irr technique
Elie Moujaes
- [Pw_forum] error while compiling the start_q, last_q, start_irr and last_irr technique
Elie Moujaes
- [Pw_forum] vc-relax of a 60 atom supercell
Elie Moujaes
- [Pw_forum] start_q, last_q, start_irr, last_irr
Jeffrey Mullen
- [Pw_forum] electrochemical potential
Masoud Nahali
- [Pw_forum] optimizing cell parameters and choosing k-points of graphite
Masoud Nahali
- [Pw_forum] Energy conservation in Verlet-MD?
Norbert Nemec
- [Pw_forum] Energy conservation in Verlet-MD?
Norbert Nemec
- [Pw_forum] Phonon frequency calculation
Ngoc Linh Nguyen
- [Pw_forum] Query regarding Al2O3 system slab calculation
Ngoc Linh Nguyen
- [Pw_forum] Error in reading the Pseudopotentials taken from QE site?
Ngoc Linh Nguyen
- [Pw_forum] "nat_todo",could anyone help me?
Ngoc Linh Nguyen
- [Pw_forum] Phonon restart error
Ngoc Linh Nguyen
- [Pw_forum] Pw_forum Digest, Vol 36, Issue 34
Ngoc Linh Nguyen
- [Pw_forum] offset
Ngoc Linh Nguyen
- [Pw_forum] internal error, cannot braket Ef
Ngoc Linh Nguyen
- [Pw_forum] About phonon lifetimes
Ngoc Linh Nguyen
- [Pw_forum] overlap of atoms
Payam Norouzzadeh
- [Pw_forum] overlap of atoms
Payam Norouzzadeh
- [Pw_forum] overlap of atoms
Payam Norouzzadeh
- [Pw_forum] overlap of atoms
Payam Norouzzadeh
- [Pw_forum] My installation of Espresso 4.1/4.2 is not passing benchmarks
Christopher O'Brien
- [Pw_forum] PW very sensitive to number of processors and pools
Christopher O'Brien
- [Pw_forum] PW very sensitive to number of processors and pools
Christopher O'Brien
- [Pw_forum] KZK method
William Parker
- [Pw_forum] My installation of Espresso 4.1/4.2 is not passing benchmarks
Lorenzo Paulatto
- [Pw_forum] overlap of atoms
Lorenzo Paulatto
- [Pw_forum] "nat_todo",could anyone help me?
Lorenzo Paulatto
- [Pw_forum] On line DFT calculations
Lorenzo Paulatto
- [Pw_forum] PP for Rhenium
Lorenzo Paulatto
- [Pw_forum] Zn NCPP pseudopotential
Lorenzo Paulatto
- [Pw_forum] overlap of atoms
Lorenzo Paulatto
- [Pw_forum] overlap of atoms
Lorenzo Paulatto
- [Pw_forum] pseudopotential
Lorenzo Paulatto
- [Pw_forum] Diagonal values are not equivalent of dielectric tensor and effective charge
Lorenzo Paulatto
- [Pw_forum] matdyn.x
Q.J.Wang
- [Pw_forum] Pw_forum Digest, Vol 36, Issue 68
Q.J.Wang
- [Pw_forum] Diagonal values are not equivalent of dielectric tensor and effective charge
Q.J.Wang
- [Pw_forum] Wrong Mn Pdos Orbital
Bipul Rakshit
- [Pw_forum] pressure derivative of elastic constant
Bipul Rakshit
- [Pw_forum] pressure derivative of elastic constant
Bipul Rakshit
- [Pw_forum] Calculating multiple el-ph matrices simultaneously
Hahnbidt Rhee
- [Pw_forum] Wu-Cohen GGA
S. K. S.
- [Pw_forum] Eu or Sm Pseudo Potential
S. K. S.
- [Pw_forum] Problem with ibrav=0 in supercell calculations
DHRUV SINGH
- [Pw_forum] plotband.x problem
Mahmood Samadpoor
- [Pw_forum] pseudo-potential for virtual atom
German Samolyuk
- [Pw_forum] calculation with magnetic field
Gabriele Sclauzero
- [Pw_forum] error 208, reading namelist cell
Gabriele Sclauzero
- [Pw_forum] HSE error
Gabriele Sclauzero
- [Pw_forum] occupancies of density matrix in LDA+U
Gabriele Sclauzero
- [Pw_forum] PP for Au
Gabriele Sclauzero
- [Pw_forum] Pw_forum Digest, Vol 36, Issue 68
Gabriele Sclauzero
- [Pw_forum] PP for Au
Olga Sedelnikova
- [Pw_forum] 2. PP for Au (psavita at crlindia.com)
Olga Sedelnikova
- [Pw_forum] electron-phonon coupling and pseudopotential choice
Oleg Sergeev
- [Pw_forum] electron-phonon coupling and pseudopotential choice
Oleg Sergeev
- [Pw_forum] KZK method
Luke Shulenburger
- [Pw_forum] KZK method
Luke Shulenburger
- [Pw_forum] Wu-Cohen GGA
Luke Shulenburger
- [Pw_forum] pseudopotntial for K
Derek Stewart
- [Pw_forum] Problem in reading PP's taken from QE site?
Michael Sullivan
- [Pw_forum] LDA+U Ti
Iris Theophilou
- [Pw_forum] LDA+U Ti
Iris Theophilou
- [Pw_forum] Can we use "Blue moon sampling" in PWSCF
Antonio Tilocca
- [Pw_forum] Query regarding Al2O3 system slab calculation
Vikas Varshney
- [Pw_forum] Query regarding Al2O3 system slab calculation
Vikas Varshney
- [Pw_forum] DFT+U
Vi Vo
- [Pw_forum] DFT+U
Vi Vo
- [Pw_forum] B3LYP
Vi Vo
- [Pw_forum] B3LYP
Vi Vo
- [Pw_forum] Pseudo Sr
Suza W
- [Pw_forum] Pseudo Ba
Suza W
- [Pw_forum] ultrasoft Cs pseudopotential
Suza W
- [Pw_forum] ultrasoft Cs pseudopotential
Suza W
- [Pw_forum] problem with vc-relax and spin-polarization
Bryan M. Wong
- [Pw_forum] Is it possible to calculate the phonon dos for each branch?
Yamit
- [Pw_forum] Is it possible to calculate the phonon dos for each branch?
Yamit
- [Pw_forum] How to calcualte anharmonic phonon lifetimes?
Yamit
- [Pw_forum] About phonon lifetimes
Yamit
- [Pw_forum] About phonon lifetimes
Yamit
- [Pw_forum] About phonon lifetimes
Yamit
- [Pw_forum] how to do fixed volume optimization
Kun Yin
- [Pw_forum] My installation of Espresso 4.1/4.2 is not passingbenchmarks
Huiqun Zhou
- [Pw_forum] Calculating multiple el-ph matrices simultaneously
Huiqun Zhou
- [Pw_forum] KZK method
mohaddeseh abbasnejad
- [Pw_forum] KZK method
mohaddeseh abbasnejad
- [Pw_forum] KZK method
mohaddeseh abbasnejad
- [Pw_forum] MnSe-passivation
peyman amiri
- [Pw_forum] pseudopotential
archygu
- [Pw_forum] npool and electron phonon calculation
asubedi
- [Pw_forum] tot_magnetization
hanghui chen
- [Pw_forum] 2. PP for Au
psavita at crlindia.com
- [Pw_forum] HSE error
marsamos at democritos.it
- [Pw_forum] HSE error
marsamos at democritos.it
- [Pw_forum] Raman intensities
loc duong ding
- [Pw_forum] Phonon restart error
loc duong ding
- [Pw_forum] Computing Second order response
loc duong ding
- [Pw_forum] Computing Second order response
loc duong ding
- [Pw_forum] Computing Second order response
loc duong ding
- [Pw_forum] irreducible representations
eli
- [Pw_forum] Can we use "Blue moon sampling" in PWSCF
yukihiro_okuno at fujifilm.co.jp
- [Pw_forum] quenching input file example
chenjie gu
- [Pw_forum] Unit cell problem
chenjie gu
- [Pw_forum] some input parameter
chenjie gu
- [Pw_forum] SIGSEGV, segmentation fault occurred
nazari at iasbs.ac.ir
- [Pw_forum] overlap of atoms
elbuesta at icqmail.com
- [Pw_forum] error in gamma
ali kazempour
- [Pw_forum] GWW for metal
ali kazempour
- [Pw_forum] GWW for metal
ali kazempour
- [Pw_forum] elestic constant for Hexagonal
ali kazempour
- [Pw_forum] Error in reading the Pseudopotentials taken from QE site?
sonu kumar
- [Pw_forum] solved:Error in reading the Pseudopotentials taken from QE site?
sonu kumar
- [Pw_forum] Phonons with non-collinear magnetism ?
sonu kumar
- [Pw_forum] Problem in reading PP's taken from QE site?
sonu kumar
- [Pw_forum] Problem in reading PP's taken from QE site?
sonu kumar
- [Pw_forum] Problem in reading PP's taken from QE site?
sonu kumar
- [Pw_forum] a question about plotrho.x
vega lew
- [Pw_forum] a question about plotrho.x
vega lew
- [Pw_forum] Do you think QE could get a considerable improved performance on AMD 6100 series CPUs
vega lew
- [Pw_forum] the charge of the individual atom
lfhuang
- [Pw_forum] occupancies of density matrix in LDA+U vs output polarization in Lowdin Charges
lfhuang
- [Pw_forum] checkallsym : error
giacsport at libero.it
- [Pw_forum] Zn NCPP pseudopotential
giacsport at libero.it
- [Pw_forum] R: Re: Zn NCPP pseudopotential
giacsport at libero.it
- [Pw_forum] Unit cell problem
mohsen modaresi
- [Pw_forum] Unit cell problem
mohsen modaresi
- [Pw_forum] Unit cell problem
mohsen modaresi
- [Pw_forum] plotband.x problem
mohsen modaresi
- [Pw_forum] Problem in reading PP's taken from QE site?
mohsen modaresi
- [Pw_forum] On line DFT calculations
nand
- [Pw_forum] Wrong Mn Pdos Orbital
nand
- [Pw_forum] LDA norm-conserving pseudopotentials of Zn, Ga or In atoms
li niu
- [Pw_forum] Rs: the charge of the individual atom
mohnish pandey
- [Pw_forum] Is there a way to fix the c of supercell and vary only a and b
mohnish pandey
- [Pw_forum] Is there a way to fix the c of supercell and vary only a and b
mohnish pandey
- [Pw_forum] Example-29, NOTE : eigenvalues are not computed without ortho.
joaquin peralta
- [Pw_forum] Example-29, "NOTE : eigenvalues are not computed without ortho."
joaquin peralta
- [Pw_forum] HSE error
kazempoor at ph.iut.ac.ir
- [Pw_forum] error in gamma
kazempoor at ph.iut.ac.ir
- [Pw_forum] not able to install espresso
vicky singh
- [Pw_forum] PP for Rhenium
vicky singh
- [Pw_forum] PP for Rhenium
vicky singh
- [Pw_forum] PP for Rhenium
vicky singh
- [Pw_forum] PP for Rhenium
vicky singh
- [Pw_forum] PP for Rhenium
vicky singh
- [Pw_forum] k_points
raheleh vaziri
- [Pw_forum] k_points
raheleh vaziri
- [Pw_forum] offset
raheleh vaziri
- [Pw_forum] norm-conserving potential of Fluorine
shudong wang
- [Pw_forum] meta-GGA (TPSS) PP generation code
yuning wu
- [Pw_forum] Raman intensities
xirainbow
- [Pw_forum] k_points
xirainbow
- [Pw_forum] carbon nanotube & copper chain
xirainbow
- [Pw_forum] carbon nanotube & copper chain
xirainbow
- [Pw_forum] carbon nanotube & copper chain
xirainbow
- [Pw_forum] carbon nanotube & copper chain
xirainbow
- [Pw_forum] irreducible representations
xirainbow
- [Pw_forum] different structure under xyz file and scf file for carbon nanotube
chengyu yang
- [Pw_forum] Fwd: different structure under xyz file and scf file for carbon nanotube
chengyu yang
- [Pw_forum] Fwd: different structure under xyz file and scf file for carbon nanotube
chengyu yang
- [Pw_forum] carbon nanotube & copper chain
chengyu yang
- [Pw_forum] carbon nanotube & copper chain
chengyu yang
- [Pw_forum] carbon nanotube & copper chain
chengyu yang
- [Pw_forum] carbon nanotube & copper chain
chengyu yang
- [Pw_forum] carbon nanotube & copper chain
chengyu yang
- [Pw_forum] carbon nanotube & copper chain
chengyu yang
- [Pw_forum] plotrho.x error
chengyu yang
- [Pw_forum] plotrho.x error
chengyu yang
- [Pw_forum] plotrho.x error
chengyu yang
- [Pw_forum] no interaction in my 2-D charge density contour
chengyu yang
- [Pw_forum] no interaction in my 2-D charge density contour
chengyu yang
- [Pw_forum] no interaction in my 2-D charge density contour
chengyu yang
- [Pw_forum] no interaction in my 2-D charge density contour
chengyu yang
- [Pw_forum] no interaction in my 2-D charge density contour
chengyu yang
- [Pw_forum] elestic constant for Hexagonal
Максим Попов
- [Pw_forum] about the parameter of "nat_todo"
刘华忠
- [Pw_forum] "nat_todo",could anyone help me?
刘华忠
- [Pw_forum] "nat_todo",could anyone help me?
刘华忠
- [Pw_forum] What's real imaginary frequency of the transition state?
刘华忠
- [Pw_forum] Is there PBE or LDA UPF for Rb element?
李斌
- [Pw_forum] lambda.x problem, espresso 4.2
李斌
Last message date:
Wed Jun 30 17:10:48 CEST 2010
Archived on: Wed Feb 28 11:05:39 CET 2018
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