[DFTB-Plus-User] Can I use only one translation vector in a DFTB calculation?
Ismael Ortiz Verano
isortiz at udca.edu.co
Thu Mar 31 15:52:26 CEST 2016
Hello!
I want to calculate some properties of a polymer using DFTB+, but when I
try to use the "Periodic = Yes" keyword, the program looks for three
translation vectors, while a polymer has only one TV. Any suggest?
Thanks!
*Ismael Ortiz Verano*
Docente de QuĂmica
Facultad de Ciencias
Universidad de Ciencias Aplicadas y Ambientales
sites.google.com/site/cytudca
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