Hi Ravindra, If you run the full tests they should each coclude with a run of turbo_spectrum.x . This produces a file prefix.plot (where in the benzene case prefix == benzine). Depending on how many polarization directions were included in the turbo_lanczos.x run this should contain some (or all) of the components of the dipole polarizability tensor and the strength function. The units used are given in the comments at the top of this file.
The CPC paper provided in espresso/TDDFPT/Doc gives a full discussion of exactly what is calculated. Best regards, Simon On Sat, 05 Jan 2013 06:06:29 +0100, Ravindra Shinde ??????? ????? <neelravi at gmail.com> wrote: > I am running TDDFPT test jobs - particularly benzene - in Quantum > Espresso 5.0.2. The test script ends successfully, but there is no > information given, for, how to plot the graph of alpha(omega) versus > energy(eV). > > Regards and happy new year !!! > > > > ................................................................................................................ > Ravindra Laxman Shinde ??????? ??????? ????? > Indian Institute of Technology Bombay* *?????? ?????????? ?????? > ????? > Mumbai 400076, India* *????? ??????, ???? > phone: 91 22 2576 4558 ????????: ?? ?? > ???????? > mobile: 91 8082014793 > ................................................................................................................ > Website: > http://home.iitb.ac.in/~ravindra.shinde<http://home.iitb.ac.in/%7Eravindra.shinde> > ................................................................................................................ -- Simon Binnie | Post Doc, Condensed Matter Sector Scuola Internazionale di Studi Avanzati (SISSA) Via Bonomea 256 | 34100 Trieste | sbinnie at sissa.it
