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2016-09-07:

00:11 WikiStart edited by fgygi

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00:10 ReleaseNotes edited by fgygi

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2016-08-31:

21:46 gs.r attached to C60molecule by fgygi

Output file for C60 ground state calculation

21:36 gs.i attached to C60molecule by fgygi

Input file for C60 ground state calculation

21:33 c60.i attached to C60molecule by fgygi

Unit cell definition and atomic positions for C60 ground state calculation

21:29 C60molecule edited by fgygi

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19:53 C60molecule created by fgygi

04:02 H2O64 edited by fgygi

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03:55 Examples edited by fgygi

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2016-08-25:

17:58 Ticket #15 (Exchange energy is incorrect when using nspin=2 and kpoints) created by fgygi

The exchange energy is incorrect when using multiple kpoints and nspin=2.

2016-08-22:

21:07 Ticket #14 (Vext implementation) created by fgygi

Implementation of the external potential interface.

2016-08-18:

19:08 Ticket #13 (etotal_int incorrect when using k-points) closed by fgygi

fixed

2016-08-17:

19:53 Ticket #13 (etotal_int incorrect when using k-points) created by fgygi

The value of <etotal_int> printed on output is incorrect when using …

2016-08-10:

16:41 Ticket #12 (JD algorithm fails on h2o32) created by fgygi

The wf_dyn = JD algorithm fails to converge in a ground state …