Dear Dr Singh,
You have a serious problems in you input file. I advice to:
- organize your file structural information, kpont, Ecut, print in th last.
- Read a very nice and good abinit tutorial.
Good lunck
Mab
Search found 9 matches
- Sun Jul 15, 2012 5:40 pm
- Forum: Ground state
- Topic: error in convergence
- Replies: 2
- Views: 2136
- Wed Jul 04, 2012 11:22 pm
- Forum: Ground state
- Topic: Top of valence band
- Replies: 0
- Views: 1451
Top of valence band
Hi all,
I have a simple and serious problem : How i can find a Top of Valence Band?
Thank you
Mab
I have a simple and serious problem : How i can find a Top of Valence Band?
Thank you
Mab
- Sun Apr 08, 2012 9:41 am
- Forum: Ground state
- Topic: Abinit and heterojunction
- Replies: 0
- Views: 1439
Abinit and heterojunction
Hi all,
In the case of the heterojunction Si/Ge, I have build the supercell. My questions are:
- I can plot I(curent) vs V(voltage)?
- What are the other curves that i can plot in the case of the heterojunction?
Thousand and one times thank you.
In the case of the heterojunction Si/Ge, I have build the supercell. My questions are:
- I can plot I(curent) vs V(voltage)?
- What are the other curves that i can plot in the case of the heterojunction?
Thousand and one times thank you.
- Sat Feb 04, 2012 3:27 pm
- Forum: Ground state
- Topic: Problem with space group 166 (R-3m)
- Replies: 2
- Views: 2014
Re: Problem with space group 166 (R-3m)
It s ok, Thank you
Mab
Mab
- Sun Jan 29, 2012 9:34 pm
- Forum: Ground state
- Topic: Problem with space group 166 (R-3m)
- Replies: 2
- Views: 2014
Problem with space group 166 (R-3m)
Hi Abinit users, All the time when i use this structure and this atomic positions Abinit poster an error message (look below). Thank you for your help Mab ---------------------------- natom 2 ntypat 2 znucl 8 29 typat 1 2 acell 8.0 8.0 30.0 spgroup 166 spgaxor 1 spgorig 1 brvltt 7 angdeg 90 90 120 x...
- Thu Nov 17, 2011 6:01 pm
- Forum: Configuring and compiling ABINIT
- Topic: error when i make abinit 6.10.2
- Replies: 2
- Views: 2586
Re: error when i make abinit 6.10.2
Hi
This error comes probably from ./configure. You change the option after this command ./configure --option.
Good luck
This error comes probably from ./configure. You change the option after this command ./configure --option.
Good luck
- Mon Nov 14, 2011 11:18 am
- Forum: Configuring and compiling ABINIT
- Topic: Problem to installing Abinit-10.6.1 on Opensuse 11.4
- Replies: 5
- Views: 5487
Re: Problem to installing Abinit-10.6.1 on Opensuse 11.4
Thank you very much but i m sorry after "sudo make install" i find : use etsf_io_low_level 1 Fatal Error: Can't open module file 'etsf_io_low_level.mod' for reading at (1): Aucun fichier ou dossier de ce type make[2]: *** [m_errors.o] Erreur 1 make[2] : on quitte le répertoire « /home/zemz...
- Sun Nov 13, 2011 7:44 pm
- Forum: Configuring and compiling ABINIT
- Topic: Problem to installing Abinit-10.6.1 on Opensuse 11.4
- Replies: 5
- Views: 5487
Re: Problem to installing Abinit-10.6.1 on Opensuse 11.4
Hi, Thank you for your attention but when i do "make install" the result is: make[3] : on entre dans le répertoire « /home/zemzemi/DossierCalcul/Dossier_Abinit/abinit-6.10.1/src/98_main » test -z "/usr/local/bin" || /bin/mkdir -p "/usr/local/bin" /usr/bin/install -c abi...
- Sun Nov 13, 2011 3:45 pm
- Forum: Configuring and compiling ABINIT
- Topic: Problem to installing Abinit-10.6.1 on Opensuse 11.4
- Replies: 5
- Views: 5487
Problem to installing Abinit-10.6.1 on Opensuse 11.4
Dear Abinit users, I want to install abinit-6.10.1 on Opensuse 11.4. You will find the messages after configure and install. I count on you ****************************************************************************************************************************************************************...