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- Marking answers for solved issues
by pouillon » Fri Aug 09, 2013 12:56 pm - 0 Replies
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Fri Aug 09, 2013 12:56 pm
- Marking answers for solved issues
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- Is 'getden' working properly?
by cgs12 » Tue Sep 25, 2018 1:11 am
- 2 Replies
- 17 Views
- Last post by cgs12
Tue Sep 25, 2018 11:30 pm
- Is 'getden' working properly?
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- NEB: does it change the angdeg and acell after each loop?
by johnbrehm » Mon Sep 10, 2018 4:02 pm - 2 Replies
- 66 Views
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Fri Sep 21, 2018 7:48 pm
- NEB: does it change the angdeg and acell after each loop?
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- stress tensor: stress.F90
by johnbrehm » Thu Sep 13, 2018 4:57 pm - 0 Replies
- 77 Views
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Thu Sep 13, 2018 4:57 pm
- stress tensor: stress.F90
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- Availability of vdW-DF1/2 functionals
by fabiano.corsetti » Mon Sep 19, 2011 2:54 pm - 10 Replies
- 2493 Views
- Last post by cespejo
Thu Sep 13, 2018 2:51 pm
- Availability of vdW-DF1/2 functionals
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- NEB failure
by johnbrehm » Sun Sep 09, 2018 8:24 pm - 2 Replies
- 68 Views
- Last post by torrent
Wed Sep 12, 2018 3:32 pm
- NEB failure
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- Parameters about parallelism
by Abinit » Thu Aug 16, 2018 5:32 pm - 1 Replies
- 164 Views
- Last post by ebousquet
Wed Sep 12, 2018 11:51 am
- Parameters about parallelism
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- k point generation for hexagonal compounds
by elia » Thu Aug 23, 2018 8:20 pm - 0 Replies
- 462 Views
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Thu Aug 23, 2018 8:20 pm
- k point generation for hexagonal compounds
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- Crashing with Paw & iprcel /= 0
by JEJohns » Thu Jan 30, 2014 10:06 pm - 7 Replies
- 2797 Views
- Last post by jrussell
Thu Aug 09, 2018 7:34 am
- Crashing with Paw & iprcel /= 0
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- Body Centered Tetragonal Carbon
by arjunvarmar » Mon Aug 06, 2018 12:43 pm
- 0 Replies
- 159 Views
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Mon Aug 06, 2018 12:43 pm
- Body Centered Tetragonal Carbon
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- Polarisation for AlAs
by srajpand » Wed Aug 01, 2018 5:43 pm
- 2 Replies
- 222 Views
- Last post by srajpand
Fri Aug 03, 2018 5:08 am
- Polarisation for AlAs
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- graphene spin polarization
by Ahmed_BLG » Thu Aug 02, 2018 7:21 pm
- 0 Replies
- 160 Views
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Thu Aug 02, 2018 7:21 pm
- graphene spin polarization
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- help to correct input file
by ziedhosni » Fri Dec 30, 2011 12:46 pm
- 18 Replies
- 2025 Views
- Last post by nparikh102
Wed Aug 01, 2018 7:30 pm
- help to correct input file
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- PDOS and Bandstructure
by Fatmala » Thu Jan 25, 2018 9:11 am - 1 Replies
- 292 Views
- Last post by Annelinde
Thu Jul 26, 2018 12:06 pm
- PDOS and Bandstructure
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- Selective ion fixing during the structural relaxation
by bradraj » Sat Jul 14, 2018 7:20 am - 1 Replies
- 182 Views
- Last post by Annelinde
Thu Jul 26, 2018 11:54 am
- Selective ion fixing during the structural relaxation
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- plotting Band structure
by nouria.aouail » Thu May 24, 2018 10:04 am - 1 Replies
- 248 Views
- Last post by zahida
Mon Jul 23, 2018 4:55 pm
- plotting Band structure
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- Selective atom ecut parameter and a global ecut ?
by bradraj » Sat Jul 14, 2018 7:16 am - 0 Replies
- 147 Views
- Last post by bradraj
Sat Jul 14, 2018 7:16 am
- Selective atom ecut parameter and a global ecut ?
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- hybrid functional use
by Rita Maji » Mon Jul 02, 2018 2:35 pm - 0 Replies
- 209 Views
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Mon Jul 02, 2018 2:35 pm
- hybrid functional use
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- electron phonon coupling supercell
by salahs_2002 » Fri May 25, 2018 9:57 am
- 3 Replies
- 326 Views
- Last post by venky
Tue Jun 19, 2018 6:11 pm
- electron phonon coupling supercell
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- calculating energies from NSCF run
by koalad » Tue Jun 05, 2018 4:27 pm - 1 Replies
- 162 Views
- Last post by jzwanzig
Sat Jun 16, 2018 4:04 pm
- calculating energies from NSCF run
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- how to start from initial charge density in SCF calc.
by koalad » Mon Jun 11, 2018 7:21 am - 1 Replies
- 165 Views
- Last post by jzwanzig
Sat Jun 16, 2018 4:02 pm
- how to start from initial charge density in SCF calc.
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- Write a structure to the input file
by rybakov-ks » Fri Jun 15, 2018 4:30 pm - 1 Replies
- 185 Views
- Last post by jzwanzig
Sat Jun 16, 2018 4:00 pm
- Write a structure to the input file
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- Potentials between energy groups?
by baisxun » Thu May 24, 2018 5:13 pm - 1 Replies
- 186 Views
- Last post by ebousquet
Sun May 27, 2018 8:46 am
- Potentials between energy groups?
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- hexagonal and rhombohedral
by monia » Wed Feb 21, 2018 4:03 pm - 2 Replies
- 324 Views
- Last post by monia
Thu May 17, 2018 2:11 pm
- hexagonal and rhombohedral
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- DOS energy interval
by Nahasamapetilah » Tue May 15, 2018 3:58 pm - 1 Replies
- 187 Views
- Last post by gmatteo
Tue May 15, 2018 5:34 pm
- DOS energy interval
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- input charge density generation [SOLVED]
by koalad » Mon May 14, 2018 4:59 pm - 4 Replies
- 354 Views
- Last post by koalad
Mon May 14, 2018 10:03 pm
- input charge density generation [SOLVED]
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