{9} All Tickets (24 matches)

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Ticket Status Created Summary
#1 accepted 2015-08-30 PSDA algorithm not implemented for non-zero k-points
#2 accepted 2015-08-30 MLWF calculation not implemented for non-zero k-points
#3 accepted 2015-08-30 JD algorithm with default ecutprec is unstable in some situations
#4 accepted 2015-08-30 Cannot load wavefunction_velocity when using multiple k-points that include k=0
#5 closed 2015-08-30 Incorrect calculation of nonlocal f projectors causes errors in energy, forces and stress
#6 closed 2015-11-11 Incorrect OpenMP pragmas in ElectricEnthalpy
#7 closed 2015-11-11 randomize_v causes finite center of mass velocity
#8 closed 2016-01-06 JD wavefunction stepper uses incorrect preconditioning
#9 closed 2016-01-06 Output of partial_charge command incorrectly formatted
#10 closed 2016-02-01 randomize_r causes lack of convergence in ground state calculation
#11 closed 2016-05-31 Incorrect sign of torsion angle
#12 new 2016-08-10 JD algorithm fails on h2o32
#13 closed 2016-08-17 etotal_int incorrect when using k-points
#14 new 2016-08-22 Vext implementation
#15 closed 2016-08-25 Exchange energy is incorrect when using nspin=2 and kpoints
#16 new 2016-09-11 JD wave function stepper slow on BlueGene/Q
#17 closed 2016-09-11 ESSL dcft function fails on BG/Q when using elongated cells
#18 new 2016-10-07 qso2qe.py script not working on RHEL installations
#19 accepted 2016-10-20 Torsion constraints cannot be enforced for an angle of 180 degrees
#20 new 2017-01-22 Incomplete output stream in client-server mode
#21 accepted 2017-02-10 BIsection calculation crashes if wave function has zero size
#22 accepted 2017-02-10 Inconsistent <etotal_int> and <etotal> when net_charge is non-zero
#23 accepted 2017-03-01 CG cell optimizer causes abort when reaching full convergence
#24 closed 2017-07-20 Torsion constraints cannot be enforced
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