[Pw_forum] Can I visualize the spin?

Dear Colleagues, Can I visualize the spin? -- Best regards, Andrey Chibisov. Ph.D. Numerical method of mathematical physics Laboratory, Computational Center, Russian Academy of Sciences. Khabarovsk, Russia Web page: https://www.researchgate.net/profile/A_Chibisov

[Pw_forum] Introduction of screw dislocation into bcc ferrite

Respected members, Can you please guide me to include screw dislocation into bcc ferrite. Thanking you, Sincerely, Krishnendu -- Dr. Krishnendu Mukherjee, Principal Scientist, CSIR-NML, Jamshedpur. ___ Pw_forum mailing list Pw_forum@pwscf.org

Re: [Pw_forum] SternheimerGW cannot be installed in QE 6.2

The different people responsible for the numerous external packages need some time to test them against the version 6.2 and package them properly. This can easily take a couple of day and does not produce any peer-reviewed paper, hence it is not necessarily top priority for everybody. You've

[Pw_forum] SternheimerGW cannot be installed in QE 6.2

Hi all, The information on QE 6.2 states that it can compute GW according to SternheimerGW equation. But if I write, as suggested by the Makefile, make SternheimerGW the following message appears: gzip: ../archive/v0.14_qe6.2.tar.gz: not in gzip format and indeed I can see that the

[Pw_forum] gipaw cannot be compiled in QE 6.2

Hi, I installed this recent version of QE and, after completing make all, when I do make gipaw I find the following: configure: error: Cannot compile against this version of Quantum-Espresso What should be done? Regards, JC Conesa El 24/10/2017 a las 16:46, Paolo Giannozzi escribió:

Re: [Pw_forum] Charge Plot

The file you sent is not an xsf file that can be read by xcrysden. Paolo On Tue, Oct 24, 2017 at 8:12 AM, Sudha Priyanka wrote: > Dear Experts, >I followed the tutorials and have done pp calculation and produced > charge output data for LiH which is suitable

Re: [Pw_forum] Charge Plot

Dear Priyanka your charge file is not an xsf file.The file standard output which is given in your input is an xsf file. Plot that file. *Mohammad Ubaid* *PhD Research Scholar* *Department of Physics* *Jamia Millia Islamia University* *New Delhi - 110025* On Wed, Oct 25, 2017 at 12:34 PM, Ubaid

Re: [Pw_forum] Charge Plot

Increase the resolution of your monitor. On 25-Oct-2017 11:32 AM, "Sudha Priyanka" wrote: > Dear Experts, >I followed the tutorials and have done pp calculation and produced > charge output data for LiH which is suitable for xcysden plot. When I am > trying to