Re: [Wien] Segmentation Fault after CORE END

Based on the recommendation of Gavin Abo, I entered the struct file by hand. I got the system to run properly for a bit and did some calculations. But, upon attempting to change the potential from PBE to LDA, the mixer began crashing again. Now it's crashing even using PBE. I'm using version 18

[Wien] Segmentation Fault after CORE END

I'm having an issue with segmentation faults during LAPW cycles. I keep getting segmentation faults after running a standard run_lapw command: run_lapw -ec 0.001 LAPW0 END LAPW1 END LAPW2 END CORE END forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC

Re: [Wien] SCF Cycle stops; if: event not found

Thank you! Currently I'm running on a cluster, so I need to talk with IT to change that line, but I'll try and see if it works! I'd find it interesting, Gavin Abo Wrote The error may be coming from lin

Re: [Wien] SCF Cycle stops; if: event not found

Sorry for the delay; Helium experiments happened and then I've been trying to debug. The Script I'm trying to run is runafm_lapw -cc 0.001 I get a if:event not found after Mixer->clmcopy runs. For example: runafm_lapw -cc 0.001 -NI struct_afm_check END LAPW0 END LAPW1 END LAPW2 END clmcopy E

[Wien] SCF Cycle stops; if: event not found

Good morning! I'm current on WIEN2k Version 18, and I'm having an issue with an AFM calculation. Currently, I'm trying to run a refinement on a AFM lattice using charge convergence criterion. I consistently get two cycles in before the process suddenly stops with the message: *if: event not foun

[Wien] prepare_xsf_lapw error with AFM Calculation. ( vcoul potential)

Good morning! I'm attempting an AFM calculation with the R2V option enabled. Here's what I've done: I've replaced the normal *case*.cumsum file with the *case*.vcoul file so that I can look at the coulomb potential. I've created my *case*.inxsf file. I then try to run prepare_xsf_lapw. Now, f