4.2. Input Syntax¶
Page under construction. The input syntax can be found at: https://nextnano-docu.northeurope.cloudapp.azure.com/dokuwiki/doku.php?id=qcl:input_file
Two formats are supported by the nextnano.NEGF software. * the .xml format (supported in all versions) * the .negf format (similar style as nextnano++ .in format, available only in the new C++ version)
The new format with extension ‘negf’ features:
Syntax validation before the simulation - the parser checks the syntactical correctness as well as the logic and, if invalid, prints an error message in the log specifying what exactly is wrong in your file.
Variables starting with
$sign can be used not only in the input but also database files. The new default database Material_DatabaseCpp.negf contains a switch
$nnpto use the default parameters of nextnano.NEGF, nextnano.MSB, and nextnano++, respectively. Naturally, the new format will look much familiar if you have experience with nextnano++.
- The nextnanomat feature Tools > Convert .xml Input File to .negf Input File can convert your xml input files to the new format. On Linux, you can run the executable syntax_converter included in the package. After conversion, please note that
Variableshas been deprecated. Please add manually your variables in the nextnano++ format, i.e., define the variables at the beginning of your input file as
$variable = value(See Input Syntax).
Most of the XML comments
<!-- -->are not retained in the conversion. If necessary, please recover them manually. Comments start with the letter
Within the new format, only the new keywords are supported. They are replaced automatically by the conversion.
IMPORTANT: Do not convert the XML database to the new format! The new database Material_Database.negf is not backward-compatible and contains extra parameters compared to Material_Database.xml.
The mandatory sections are the following: * Materials (definition of materials used in the structure) * SimulationParameter (simulation parameters)