ABINIT Discussion Forums

dear, could you help me in calculating the band structure of silicon nanowire. actully i have calculated the band gap for silicon nanowire and it is .406 ev and the most amazing thing is that i have made calcution by using Catstep and Dmol using GW approch and i got the same result could you please ...

dear,
in Catstep and dmol i have made calculation by usin GW approx mathod

dear,
i have made calculation for silicon nanowire but i am surprised that the band gap is .406eV and i have made same calculation on catstep and dmol and amazing thing is that i got the same result. Could any one tell me that is it possible? if yes then how?


with regards,
sana

dear,
thanx , http://ftp.abinit.org/abinit-6.6.2_i686 ... gnu4.5.zip now working on my system. thanx for help.
with regards,
sana

dearJacques , i have try to run the file on abinit-6.6.2_i686_cygwin_gnu4.5. but it still creating the problem,after 2-3 sec the progrm get terminated without giving any error message. in out put file i got .Version 6.6.2 of ABINIT .(MPI version, prepared for a i686_cygwin_gnu4.5 computer) .Copyrigh...

could any one tell me that which version of abinit will be suitable for windows 7. actully i have 64 bit processor and the older version of abinit is not running on it.i have try to run some file on it but it display some error msges on the other hand the same file is running successfully on windows...

dear, when i try to install abinit-6.2.2 in parallel configuration i got following message.could some one tell me what went wrong? checking whether the C compiler works... yes checking for C compiler default output file name... a.out checking for suffix of executables... checking whether we are cros...

dear, i have tried to run the first tutorial but i dint get the output mansoorhasan@mansoor:~/Desktop/abinit/abinit-6.2.2/tests/tutorial/Input/work> abinit<t1x.files>&log mansoorhasan@mansoor:~/Desktop/abinit/abinit-6.2.2/tests/tutorial/Input/work> ls log t11.in t1x.files t1x.files~ t2x.files~ c...

dear i follow ur commnd i got smthng like that .out v5/Refs/t54.out v5/Refs/t55.out v5/Refs/t56.out v5/Refs/t57.out v5/Refs/t58.out v5/Refs/t584.outden v5/Refs/t585.outden v5/Refs/t59.out v5/Refs/t60.out v5/Refs/t61.out v5/Refs/t62.out v5/Refs/t63.out v5/Refs/t64.out v5/Refs/t65.out v5/Refs/t66.out ...

Dear , I want to install abinit 6.2.2 on suse 10.1 but i get the following error mesg. make[3]: Nothing to be done for `install-exec-am'. make[3]: Nothing to be done for `install-data-am'. make[3]: Leaving directory `/home/mansoorhasan/Desktop/abinit/abinit-6.2.2/src/43_ptgroups' make[2]: Leaving di...

dear.
could any one tell me which version of abinit will be suitable for suse10.1.and how to install abinit on it

dear when i try to install fortran compiler then i got the following msg. Unresolved dependencies: Installing gcc4.2-gfortran-4.2.3-6mnb2.i586[Local packages] There are no installable providers of gcc4.2 == 4.2.3-6mnb2 for gcc4.2-gfortran-4.2.3-6mnb2.i586[Local packages] could you please help me how...

dear when i try to install fortran compiler then i got the following msg. Unresolved dependencies: Installing gcc4.2-gfortran-4.2.3-6mnb2.i586[Local packages] There are no installable providers of gcc4.2 == 4.2.3-6mnb2 for gcc4.2-gfortran-4.2.3-6mnb2.i586[Local packages] could you please help me how...

dear , i want to install abinit on suse lynux but when i try to install it i got the following msg . mansoorhasan@mansoor:~/Desktop/abinit/abinit-6.2.2> ./configure ============================================================================== === Overall startup === ================================...

i have gone through the abinit tutorial -3 in which band structure of silicon is ploted but i got output files but i m unable to plot the graph. i have also tried abinitBandStructureMaker Manual but after creating .agr file i am unable to do further could you help me in this regard.

thanks,
but could you please tell me about V_Sim .and please tell me which tutorial would be helpful for me.
with regards,
sana

HI,
I WANT TO CALCULATE THE BAND GAP OF SILICON NANOWIRE BUT I DONT KNOW HOW TO GIVE THE DIMENSION OF NANOWIRE, AND WHERE I CAN GIVE THE DIRECTION OF NANOWIRE. I WOULD REALLY APPRECIATE IF SOMEONE COULD HELP ME,
WITH REGARDS,
SANA HUSAIN