hi, download the code .... go into the src directory...look at generic_band.F90 ....it has a interface for SIESTA... s.auluck
> Hello > I knew that website but there is no any explanation about interface of > SIESTA and BoltzTrap. > If you find something please let me know. > Thanks. > Best regards,Payam Norouzzadeh > > On Sat, Dec 24, 2011 at 9:58 AM, Sushil Auluck <[email protected]> wrote: > >> >> hi, >> look at the following website... >> >> >> BoltzTrap - ICAMS / Interdisciplinary Centre for Advanced Materials ... >> Boltzmann Transport Properties (BoltzTraP) is a program for calculating >> the ... >> band energies and is interfaced to the WIEN2k, the AB-INIT and SIESTA >> programs. ... >> www.icams.de/boltztrap - 22k - Similar >> >> s.auluck >> >> > Hello Everybody >> > Does anyone know how to push SIESTA to provide inputs for BoltzTrap >> code? >> > Is there any command or flag or interfacing code and program to do >> that? >> > Best regards,Payam Norouzzadeh >> > >> >> >> ....................................................................... >> Prof. Sushil Auluck Phone:+91-512-6797092/6148 >> Department of Physics +91-512-6798177(Home) >> Indian Institute of Technology Cell :+91-9305548667 >> Kanpur 208016 (UP) Fax :+91-512-6790914 >> India E-mail:[email protected] >> ...............................................:[email protected] >> http://www.iitk.ac.in/phy/People/phy_facvis.html >> http://www.iitk.ac.in/phy/New01/profile_SA.html >> ....................................................................... >> ~ >> > ....................................................................... Prof. Sushil Auluck Phone:+91-512-6797092/6148 Department of Physics +91-512-6798177(Home) Indian Institute of Technology Cell :+91-9305548667 Kanpur 208016 (UP) Fax :+91-512-6790914 India E-mail:[email protected] ...............................................:[email protected] http://www.iitk.ac.in/phy/People/phy_facvis.html http://www.iitk.ac.in/phy/New01/profile_SA.html ....................................................................... ~
