Runwien: a text-based interface for the WIEN package. A new text-based interface for WIEN2k, the full-potential linearized augmented plane-waves (FPLAPW) program, is presented. This code provides an easy to use, yet powerful way of generating arbitrarily large sets of calculations. Thus, properties over a potential energy surface and WIEN2k parameter exploration can be calculated using a simple input text file. This interface also provides new capabilities to the WIEN2k package, such as the calculation of elastic constants on hexagonal systems or the automatic gathering of relevant information. Additionally, runwien is modular, flexible and intuitive.

References in zbMATH (referenced in 2 articles )

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  1. Otero-De-La-Roza, A.; Luaña, Víctor: \textscGibbs2: A new version of the quasi-harmonic model code. I. Robust treatment of the static data (2011)
  2. De La Roza, A. Otero; Luaña, Víctor: Runwien: a text-based interface for the WIEN package (2009) ioport