[Pw_forum] installation problem in Quantum espresso

2011-01-05 Thread kanchan sonkar
install it. Thanx Kanchan Sonkar PhD student Center of Biomedical Magnetic Resonance, Lucknow, India -- next part -- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20110105/195ae17f/attachment.htm

[Pw_forum] installation problem in Quantum espresso

2011-01-05 Thread Paolo Giannozzi
On Jan 5, 2011, at 15:01 , kanchan sonkar wrote: > checking for Fortran 77 compiler default output file name... > configure: error: Fortran 77 compiler cannot create executables as clear as it can be: you do not have a working fortran 77 compiler P. --- Paolo Giannozzi, Dept of Chemistry,

[Pw_forum] Dispersion Correction

2011-01-05 Thread TAE BUM LEE
uburn Univ. AL. 36849 TEL.: 334-844-6912 e-mail: taebumlee at gmail.com -- next part -- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20110105/5fbad6a0/attachment.htm

[Pw_forum] about pw2casino

2011-01-05 Thread mohaddeseh abbasnejad
ne: +98 917 731 7514 E-Mail: m.abbasnejad at gmail.com Website: http://physics.ut.ac.ir - -- next part -- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20110105/c

[Pw_forum] about pw2casino

2011-01-05 Thread Gabriele Sclauzero
.democritos.it/mailman/listinfo/pw_forum ? Gabriele Sclauzero, EPFL SB ITP CSEA PH H2 462, Station 3, CH-1015 Lausanne -- next part -- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20110105/28fa8a31/attachment.htm

[Pw_forum] About Electron-Phonon Coupling matrix element in QE4.2.1

2011-01-05 Thread 程迎春
Dear Prof. Eyvaz, Thank you for your quick reply. >>In addition, I guess ?" 0.318816E-08 ?0.318816E-08 ?0.318816E-08" > >>are the elctron-phonon coupling matrix elements. > > No, they are frequencies in Ry. > I am not sure about they are frequencies. I checked the output file "'elph.

[Pw_forum] spin polarized insulator

2011-01-05 Thread S. K. S.
Dear All, In the recent version of QE code, is this possible to compute the dielectric constant of a spin-polarized insulator ? Thanking you and with my best regards, Saha SK JNCASR Bangalore

[Pw_forum] installation problem in Quantum espresso

2011-01-05 Thread Duy Le
Look weird, you have no fortran compiler. Check the $PATH to see if it is correct. -- Duy Le PhD Student Department of Physics University of Central Florida. "Men don't need hand to do things" On Wed, Jan 5, 2011 at 9:42 AM, Paolo Giannozzi

[Pw_forum] About Electron-Phonon Coupling matrix element in QE4.2.1

2011-01-05 Thread 程迎春
Dear PWscf users, In example07 in QE4.2.1, one can calculate electron phonon coupling in Al. I have a question about the elctron-phonon coupling matrix element unit in the ph.x output file. For example, there are some lines in the file "elph. 0.00. 0.00. 0.00" as following: