Re: [Pw_forum] noncolin & projwfc.x (version 5.1.1 & 5.1.2)

2015-03-26 Thread Mohammad Sandoghchi
Dear Paolo Thank you very much for your help. Now it works correctly. Best regards Mohammad Sandoghchi -- PhD student Department of Physics Sharif University of Technology Tehran, Islamic Republic of Iran email:mohammadsandoghchi at gmail dot com ___

Re: [Pw_forum] noncolin & projwfc.x (version 5.1.1 & 5.1.2)

2015-03-26 Thread Paolo Giannozzi
On Thu, 2015-03-26 at 16:52 +0430, Mohammad Sandoghchi wrote: > Regarding my previous email, it seems that the problem is due to the > fact that lines 309-328 of new projwfc.f90 is not doing the same job > as its previous counterpart. I guess something went wrong in this commit: http://qe-forge.o

Re: [Pw_forum] noncolin & projwfc.x (version 5.1.1 & 5.1.2)

2015-03-26 Thread Mohammad Sandoghchi
Dear QE Developers and Users Regarding my previous email, it seems that the problem is due to the fact that lines 309-328 of new projwfc.f90 is not doing the same job as its previous counterpart. Best regards Mohammad Sandoghchi -- PhD student Department of Physics Sharif University of Technolo

[Pw_forum] noncolin & projwfc.x (version 5.1.1 & 5.1.2)

2015-03-18 Thread Mohammad Sandoghchi
Dear Paolo and QE Users Actually, I had checked it. The issue is that in QE. ver. 5.0.3 ( k-resolved calculation ) my input files worked without any problem, but whenever I use ver. 5.1.1 or 5.1.2 ( both k-resolved and fatban calculation), after getting successful scf and band calculations, and w

Re: [Pw_forum] noncolin & projwfc.x (version 5.1.1 & 5.1.2)

2015-03-18 Thread Paolo Giannozzi
On Tue, 2015-03-17 at 23:35 +0330, Mohammad Sandoghchi wrote: > Can anybody check whether projwfc.x works correctly in the new > versions of Quantum Espresso (5.1.1 & 5.1.2) when "noncolin=.true." is > used in the input files of scf and band calculations ? YOU check. If it doesn't work, please r

[Pw_forum] noncolin & projwfc.x (version 5.1.1 & 5.1.2)

2015-03-17 Thread Mohammad Sandoghchi
Dear all Can anybody check whether projwfc.x works correctly in the new versions of Quantum Espresso (5.1.1 & 5.1.2) when "noncolin=.true." is used in the input files of scf and band calculations ?(For example in fatband (PP:example05) and k-resolved (PP:example02) calculations.) Thanks Kind reg