[Wannier] No space left on device

[Mostofi, Arash]

Dear Robert,
If you are using the PWscf interface, there is a keyword “reduce_unk” that you can set to true in the pw2wannier90 input file. This results in the code outputting the UNK to file at only every other grid point, reducing the disk space required by almost an order of magnitude. Often this is plenty good enough for visualisation purposes, especially if you use a visualisation program that can do good spline interpolation to give you smooth images of the WFs. See Section 5.5.1 of the W90 User Guide. Hope this helps.
Best wishes,
Arash

—
Dr Arash Mostofi — www.mostofigroup.org<http://www.mostofigroup.org>
Imperial College London
Director, Thomas Young Centre @Imperial
Assistant Director, CDT in Theory & Simulation of Materials
Warden, Wilkinson & Weeks Hall




On 27 Nov 2014, at 12:56, robert.guzman <guzmanar at cab.cnea.gov.ar<mailto:guzmanar at cab.cnea.gov.ar>> wrote:

Dear users and owners of wannier90.

To plot the wannier functions is necessary to obtain the UNK archives. Someone of yours know if is possible to reduce the size of the archive UNK? I used 4 pools in pw2wannier90.x

The last message in my calculation was:

forrtl: No space left on device
forrtl: severe (38): error during write, unit 98, file /state/partition1/25931.1.utopia/UNK00037.1

Best Regards.

Mgter. R. M. Guzmán A.
Insituto Balseiro. Argentina.
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