nnm:faq
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nnm:faq [2022/01/13 15:08] carola.burkl [What is the difference between "List view" and "Tree view"?] |
nnm:faq [2022/01/13 15:51] carola.burkl [Can I add new materials to the database?] |
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| - | ==== Can I add new materials to the database? ==== | ||
| - | Sure! | ||
| - | |||
| - | === Option 1 === | ||
| - | The material parameters are contained in ASCII text files. | ||
| - | You can find them in the installation folder: | ||
| - | |||
| - | nextnano³ software: | ||
| - | <code> | ||
| - | C:\Program Files (x86)\nextnano\2015_08_19\nextnano++\Syntax\database_nnp.in | ||
| - | </code> | ||
| - | nextnano++ software: | ||
| - | <code> | ||
| - | C:\Program Files (x86)\nextnano\2015_08_19\nextnano3\Syntax\database_nn3.in | ||
| - | </code> | ||
| - | These files can be edited with any text editor such as [[http://notepad-plus-plus.org|notepad++]] (available free of charge). | ||
| - | |||
| - | More information on how to add materials to the | ||
| - | * nextnano++ software can be found [[http://www.nextnano.com/nextnanoplus/software_documentation/database.htm|here]], | ||
| - | * nextnano³ software can be found [[http://www.nextnano.com/nextnano3/input_parser/database/docu/How-to-add-material-parameters.htm|here]]. | ||
| - | |||
| - | It is best if you search for a material such as ''GaSb'' and then simply use ''Copy & Paste'' to reproduce all relevant entries and then you rename ''GaSb'' to something like ''GaSb_test''. | ||
| - | Finally, you adjust the necessary material parameters that you need. | ||
| - | In most cases, you don't have to replace all material parameters. | ||
| - | It is only necessary to replace the ones that you need in the simulation. | ||
| - | |||
| - | It is a good idea to save the new database to a new location such as | ||
| - | <code> | ||
| - | C:\Users\<user name>\Documents\nextnano\My Database\database_nnp_GaSb_modified.in | ||
| - | </code> | ||
| - | You can then read in the new nextnano++ (or nextnano³) database specifying the location within nextnanomat. | ||
| - | |||
| - | ''Tools'' => ''Options...'' => ''Material database'' => ''nextnano++ database file:'' | ||
| - | |||
| - | ''Tools'' => ''Options...'' => ''Material database'' => ''nextnano³ database file:'' | ||
| - | |||
| - | === Option 2 === | ||
| - | A quicker way is the following. | ||
| - | You can overwrite certain material parameters in the input file rather than entirely defining new materials. | ||
| - | For instance if you need ''HfO2'', you could use the material ''SiO2'' and just change the static dielectric constant and conduction and valence band edges or any other relevant parameters that you need. | ||
| - | So basically, you are using the material ''SiO2'' a modified static dielectric constant and band edges. | ||
| - | |||
| - | More information on how to add materials to the | ||
| - | * nextnano++ software can be found [[http://www.nextnano.com/nextnanoplus/software_documentation/input_file/database.htm|here]], | ||
| - | * nextnano³ software can be found [[http://www.nextnano.com/nextnano3/input_parser/keywords/binary-zb-default.htm|here]]. | ||
| - | |||
| - | Please note that we treat all materials to be either of the crystal structure | ||
| - | * zinc blende (including diamond type) or | ||
| - | * wurtzite. | ||
| - | |||
| - | ---- | ||
| ==== Can I take advantage of parallelization of the nextnano software on multi-core CPUs? ==== | ==== Can I take advantage of parallelization of the nextnano software on multi-core CPUs? ==== | ||
| The short answer is:\\ //Some numerical routines are parallelized which is done automatically. These are the numerical routines, e.g. for calculating the eigenvalues with a LAPACK solver (which itself uses BLAS).// | The short answer is:\\ //Some numerical routines are parallelized which is done automatically. These are the numerical routines, e.g. for calculating the eigenvalues with a LAPACK solver (which itself uses BLAS).// | ||
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