Re: [Pw_forum] [qe-gpu]

Dear I-do-not-know-your-name, the suggestion is to remove both packages, check permission of your directories and re-download them. Based on the little information provided, it looks like a unix/system problem and not a QE/QE-GPU problem. HTH F On May 14, 2015, at 6:48 AM, kanub...@iitk.ac.in

[Pw_forum] [qe-gpu]

Dear Sir, I was configuring qe-gpu 14.10.0 with espresso-5.1.2 on ubuntu 14.04.I am getting the following error- "./configure: line 51: ./install/configure: Permission denied" Please suggest me a way to configure it properly. ___ Pw_forum mailing list

Re: [Pw_forum] Request input file

you should start step by step looking at documentation, examples (provided with the package) and tutorials (http://www.quantum-espresso.org/tutorials/), then first work on each system separately. Using google and/or literature you can understand unit cells of graphene and TiO2, and implement

[Pw_forum] Request input file

Dear All, I am a beginner in quantum espresso. I'm on a hybrid graphene and Tio2 research.I want input files for titanium, graphene, and their hybrids each one separately.Because it did not answer my performances. Information code: espersso 4.3.2 Information system:lenovo.ideapadz510

[Pw_forum] (no subject)

Dear All, I am a beginner in quantum espresso. I'm on a hybrid graphene and Tio2 research.I want input files for titanium, graphene, and their hybrids each one separately.Because it did not answer my performances. Information code: espersso 4.3.2 Information system:lenovo.ideapadz510.cori7.

[Pw_forum] Problem in carrying out Phonon calculations

Dear All, I am a beginner in quantum espresso. I am trying to perform phonon calculation for SrTiO3. I am able to perform the calculations but I am not able to reproduce the results for SrTiO3 which are already published in PHYSICAL REVIEW B 83, 134108 (2011).

[Pw_forum] convergence problem in phonon calculation

Dear All, I am trying the quantum espresso 5.1 to perform the phonon calculation of a compound. firstly, i use VASP to get a better geometry calculation , then the opted model was used to carried out the self consistent calculation and phonon calculation on quantum espresso

Re: [Pw_forum] Convergence problem in Si slab structure

> On 13 May 2015, at 02:41, reza vatan wrote: > > Dear QE users, > > I'm trying to optimize a Silicon slab structure with 13 atomic layers in each > slab (attached file), but so far I have no success in optimizing because of > convergence problem in SCF cycle. Does any