[Pw_forum] pw2wannier90: compute uHu crashes (example works fine)

Dear all, I recently tried computing orbital magnetization etc following example 19 of the wannier package; Works all great, however when I try to adapt this for different systems pw2wannier90.x (from pwscf 6.0, 6.1 and 6.2) crashes when attempting to calculate uHu. - ***

[Pw_forum] "Segmentation fault" Error in KDOS

Dear All, I am having following error: Program received signal SIGSEGV: Segmentation fault - invalid memory reference. Backtrace for this error: #0 0x2B6D7C4446F7 #1 0x2B6D7C444D3E #2 0x2B6D7D31826F #3 0x41CEF1 in atomic_wfc_nc_proj_ at atomic_wfc_nc_proj.f90:113 #4 0x4157FE in

Re: [Pw_forum] "Segmentation fault" Error in KDOS

What is the math library u r using? Yasser Al Wahedi Assistant Professor Khalifa University Get Outlook for Android On Mon, Jan 29, 2018 at 12:03 PM +0400, "Mohammed Ghadiyali" wrote: Dear All, I am having following error: Program received signal

[Pw_forum] phonon dispersion by using optimized tetrahedron method

Dear *Paolo Giannozzi * *I am very interested to calculated the e-ph constant by using both tetrahedron and interpolated method. I can do both task. The problem is that I cannot calculate the phonon dispersion by using tetrahedron method, and I do not find any source to solve this, although I

[Pw_forum] Regarding Phonon dispersion with SOC

Dear PWforum, The phonon dispersion with spin-orbit coupling means that we have to include *noncolin = .TRUE. and lspinorb = .TRUE.* in scf.in. and we have to run ph.in file as such. Is it correct? or please tell me whether to include any tags in ph.in file also. thanks, --