Re: [Pw_forum] Gaussian/Lorentzian broadening

Worked like a charm Claudio. Thanks! On Fri, Mar 27, 2015 at 5:56 PM, Claudio A. Perottoni wrote: > Amin, > > You may try tabprn95.exe (hanicka.uochb.cas.cz/~bour/programs/list.html). > The program ask for an input file which is simply a list of mode number, > frequency and

Re: [Pw_forum] QE_Parallel

Dear Gul, it might help a lot to understand three things: - where you are running your code (meaning, the hardware platform) - how you compile the code (meaning how you run configure) - what libraries and compilers are you using (meaning your environment) With the little information you

[Pw_forum] QE_Parallel

Hello, I just joined the PW forum. I am not a new user to DFT, but new to QE code. I have successfully installed (Parallel) QE , but I feel that my job (just 2 atoms) took very long time as compared with the serial calculations. Can someone guide me how to improve the parallel QE calculations.