Re: [Pw_forum] Basis sets (plane wave)

Dear sir I am new at QE want to solve my Graphene problem with QE,Is it possible to solve with this software sir,or not. with regards Surender Pratap Research Scholar Physics Department BITS Pilani,Pilani Campus Rajsthan-333031(INDIA)... Mob-7891949445 *Birla Institute of Technology &

[Pw_forum] QE-GPU

Hello! This is question for Filippo and everyone involved in development of QE-GPU version. Just to be sure, QE-GPU supports only up to 3.5 architecture? I've recently had opportunity to test some new nvidia cards (5.0 and 5.2) but as I've tried to compile QE i've saw it is not supported. Is

Re: [Pw_forum] Basis sets (plane wave)

Dear Robert Hembree, Thank you very much for your attention and guidance. Regards Sadegh Ghaderzadeh Isfahan university of technology On Tue, Dec 30, 2014 at 9:44 AM, Robert Hembree wrote: > Getting the expansion coefficients isn’t very difficult. I found the >

Re: [Pw_forum] Running ph on Windows

On Tue, 2014-12-30 at 01:10 -0600, Payam Norouzzadeh wrote: > elph=.true., > The error in crash file is: > from phq_readin : error # 5010 > reading inputph namelist >From file Doc/release-notes: Incompatible changes in 5.0 version: [...] * PHonon: input variable 'elph'

[Pw_forum] error occured

Hi all,I have got the following error during SCF run:pw.x               007D4840  mp_global_mp_mp_s          79  mp_global.f90pw.x               00410D6E  MAIN__                     23  pwscf.f90pw.x               00410CF6  Unknown               Unknown  Unknownlibc.so.6

Re: [Pw_forum] QE-GPU compiling

Mohammad, is /usrl/local/lib64 in LD_LIBRARY_PATH? Did you specify the option "--with-cuda-dir=/usr/local" when you run configure from GPU folder? This mailing-list is for problem related to Quantum ESPRESSO, not your linux installation. Make sure your environment is set correctly before