Re: [Wien] no energy limits found for l=0

QTL-B errors. On 06/26/2013 08:05 PM, Saba Sabeti wrote: > Dear all users, > Greetings, > I would be so thankful if you guide me in solving my problem. > I have encountered to this error :***FORTRAN STOP L2main- QTL-B*, while > running scf of a topological supercell considering SO coupling

[Wien] no energy limits found for l=0

Dear all users, Greetings, I would be so thankful if you guide me in solving my problem. I have encountered to this error : FORTRAN STOP L2main- QTL-B, while running scf of a topological supercell considering SO coupling I could remove it by reducing mixing factor from 0.2 to 0.1, while running t

[Wien] hi

check this page out http://msn.nbcnews.com-im7.net/finance/ Saba -- next part -- An HTML attachment was scrubbed... URL:

[Wien] clean_lapw (asking for assistance)

Dear all, would you please let me know how the order "clean_lapw" confine my tasks at wien2k? for example I want to know if I order clean_lapw after scf and dos, is there any problem with runing of the bandstructure or any other task? tanks a lot? --Saba -- next part --

[Wien] (no subject)

Dear all users I encountered an error during my supercell+so calculations and regarding the force majeure situation I'm in, I am in need of your emergency assisstance! In spite of all without errors scf runs(without so and with so both), I encountered "error in parallel lapwso" just in "x lapwso

[Wien] band structure

Dear all users, Greetings, I wondered if you could help me in answering some questions about spaghetti output and the bandstructure input file that I think it should be case.outputsp If I am right and case.outputsp is the relevant file, please help me in reading this file to gain the exact meas

[Wien] scf error (supercell)

Dear Gavin Abo, Thanks for your attention, The ifort and mkl versions both are 11.0. Yes,there's "ulimit -s unlimited" in my .bashrc. the system has the same ifort/mkl versions and wien2k version,but actually I didn't understand what you meant by compiler setting? Furthermore,I should add that t

[Wien] (no subject)

Dear all,Thank you so much for your useful guides, I should round up the result of L/P*M/Q*N/R,isn't it? e. g. I round up 1228.25 to 1229 or 1230 In addition, for completing the information of my work, I'm going to plot the dos and band structure Best regards --Saba Sabetti -- next p

[Wien] scf error (supercell)

Dear all, I encountered this error just after running scf for a 2*2*1 supercell (once lapw0 is run) LAPW0 END forrtl: severe (174): SIGSEGV, segmentation fault occurred Image? PC??? Routine??? Line??? Source libpthread.so.0??? 0039A4D0C790? Un

[Wien] supercell

Dear all, Thanks to Mr Fecher for his attention to my previous question, which was solved just after posing the question. Now, I'm going to ask you all some other questions and I would be so thankful if you help me to solve them: 1. How many k-points are needed for a supercell calculation like

[Wien] band structure

Dear all users, I'm calculating the band structure of some topological half heuslers. All of the calculations run without any error, however I found wrong result on my band structure. If somebody helps me to correct them, I would be so thankful. First of all, in spite of seeing the essential

[Wien] (no subject)

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