Bug fixed in DFT.c of OpenMX3.1 |
- Date: 2006/11/13 15:52
- Name: T.Ozaki
- Dear All,
A bug was fixed in a routine 'DFT.c' of OpenMX Ver. 3.1.
When the k-space mixing methods (Kerker and RMM-DIISK) are used, the restarting of job with the restarting file did not work properly in the version 3.1.
Please replace this routine by http://staff.aist.go.jp/t-ozaki/bugfixed/06Nov13/DFT.c
Thank you for your cooperation in advance.
Best regards,
Taisuke Ozaki
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