ABINIT Discussion Forums

Hi jahangirii! Your cell is big - try to upload your job at nanohub m (though I do not completely shure whether it is free - as they say, it is free). Reduce your number of k-points (using prtkpt 1 and kptrlen). Maybe you can reduce number of bands. Maybe you should buy RAM as pouillon advised. Hop...

I also have a question - how about using a nanohub? Are these opportunities for performing the calculation free of charge (16 cores AMD opteron)? Hi Prof. Maxim I didn't use nanohub. I send my input file ndtset 2 #spin related quantities (only second dataset) spinat2 0.0 0.0 4.0 0.0 0.0 4.0 0.0 0.0...

as alternative: prtden 0 #to reduce output size prtwf 0 #to reduce output size prteig 0 #to reduce output size may suit Howether, if getwfk -1 (this greatly speeds up the calculation) is used, then maybe you should read in the internet how to in increase (4Gb!) the size of a folder in ubuntu. Thoug...

Hello Dear users i use ABINIT for my structures. my structure is almost big. and when I run the ABINIT for my program, for example number of atoms 20, ntypat 3, acell 34.072254 35.222133 20.043059. i see this error at first. emana : ERROR - Test failed to allocate 4712.049 Mbytes It is not worth to ...

kengel wrote:Hello jahangiril, Here is a description of wtk: http://www.abinit.org/documentation/hel ... s.html#wtk If that doesn't help, could you provide a little more detail about your problem? Finally, do you know about the ABINIT tutorials? Those might be useful, especially if you are just getting started. (http://www.abinit.org/documentation/hel ... lcome.html) Regards, Kale

thanks kale

please help
I'm biginner in Abinit. what's Wtk ?