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- Marking answers for solved issues
by pouillon » Fri Aug 09, 2013 12:56 pm - 0 Replies
- 36358 Views
- Last post by pouillon
Fri Aug 09, 2013 12:56 pm
- Marking answers for solved issues
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- Segmentation Fault during STRING calculation
by woffermans » Wed Jan 09, 2019 4:43 pm - 0 Replies
- 187 Views
- Last post by woffermans
Wed Jan 09, 2019 4:43 pm
- Segmentation Fault during STRING calculation
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- mismatch DOS and band structure
by zhr.adinehphd » Sat Jan 05, 2019 9:10 pm
- 0 Replies
- 79 Views
- Last post by zhr.adinehphd
Sat Jan 05, 2019 9:10 pm
- mismatch DOS and band structure
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- Relaxations diverge near minimum for systems with 30+ atoms
by aliwho » Fri Jan 04, 2019 8:32 pm - 0 Replies
- 81 Views
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Fri Jan 04, 2019 8:32 pm
- Relaxations diverge near minimum for systems with 30+ atoms
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- Input File for a Ferromagnetism system
by Najmeh » Wed Nov 28, 2018 10:18 am
- 2 Replies
- 163 Views
- Last post by Najmeh
Sun Dec 23, 2018 2:30 pm
- Input File for a Ferromagnetism system
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- Again issue with pawovlp
by woffermans » Wed Dec 05, 2018 3:16 pm - 7 Replies
- 250 Views
- Last post by ebousquet
Thu Dec 20, 2018 1:01 pm
- Again issue with pawovlp
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- wurzite optimized
by Benamrani » Tue Dec 18, 2018 11:51 pm
- 0 Replies
- 92 Views
- Last post by Benamrani
Tue Dec 18, 2018 11:51 pm
- wurzite optimized
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- Error: About to overwrite gbound array (FFT mesh too small)
by jbarrat » Tue Dec 18, 2018 12:50 am - 0 Replies
- 78 Views
- Last post by jbarrat
Tue Dec 18, 2018 12:50 am
- Error: About to overwrite gbound array (FFT mesh too small)
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- Again Again issue with pawovlp --- Somebody to take this up
by woffermans » Tue Dec 11, 2018 9:34 am - 0 Replies
- 86 Views
- Last post by woffermans
Tue Dec 11, 2018 9:34 am
- Again Again issue with pawovlp --- Somebody to take this up
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- Restarting Energy Barrier Calculatons
by zacbullard » Tue Jan 15, 2013 11:12 am - 4 Replies
- 827 Views
- Last post by woffermans
Fri Dec 07, 2018 1:35 pm
- Restarting Energy Barrier Calculatons
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- Reduce memory demand in rf
by roginovicci » Wed Nov 21, 2018 12:03 pm - 3 Replies
- 190 Views
- Last post by ebousquet
Wed Dec 05, 2018 11:11 am
- Reduce memory demand in rf
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- String Calculation Parallel over images and k-points
by woffermans » Tue Nov 27, 2018 4:26 pm
- 2 Replies
- 156 Views
- Last post by woffermans
Mon Dec 03, 2018 3:55 pm
- String Calculation Parallel over images and k-points
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- Band structure of Kesterites Cu2ZnSnS4 ? [SOLVED]
by new_986 » Sun Mar 25, 2018 4:33 pm
- 6 Replies
- 497 Views
- Last post by shalom
Thu Nov 29, 2018 3:03 pm
- Band structure of Kesterites Cu2ZnSnS4 ? [SOLVED]
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- Density went too small WARNING [SOLVED]
by woffermans » Wed Nov 07, 2018 9:28 am - 2 Replies
- 280 Views
- Last post by woffermans
Thu Nov 15, 2018 11:27 am
- Density went too small WARNING [SOLVED]
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- average electrostatic potential
by zhr.adinehphd » Mon Nov 12, 2018 9:55 pm - 0 Replies
- 30 Views
- Last post by zhr.adinehphd
Mon Nov 12, 2018 9:55 pm
- average electrostatic potential
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- Optimization of the MoSSe alloy?
by elia » Mon Nov 12, 2018 4:53 pm
- 0 Replies
- 170 Views
- Last post by elia
Mon Nov 12, 2018 4:53 pm
- Optimization of the MoSSe alloy?
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- Atomic structure relaxation [SOLVED]
by cgs12 » Fri Nov 02, 2018 9:47 pm - 4 Replies
- 338 Views
- Last post by Boris
Mon Nov 12, 2018 2:02 pm
- Atomic structure relaxation [SOLVED]
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- Positron lifetime in a supercell
by robinson2738 » Fri Nov 02, 2018 3:42 pm - 0 Replies
- 154 Views
- Last post by robinson2738
Fri Nov 02, 2018 3:42 pm
- Positron lifetime in a supercell
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- How I get optimized structure in tetragonal phase
by Mutta » Fri Feb 19, 2010 12:39 pm - 12 Replies
- 4469 Views
- Last post by new_986
Fri Nov 02, 2018 10:47 am
- How I get optimized structure in tetragonal phase
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- Optimization of the tetragonal phase?
by new_986 » Thu Nov 01, 2018 9:39 am - 0 Replies
- 178 Views
- Last post by new_986
Thu Nov 01, 2018 9:39 am
- Optimization of the tetragonal phase?
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- Alchemical method
by aria » Wed Oct 31, 2018 4:31 pm - 0 Replies
- 171 Views
- Last post by aria
Wed Oct 31, 2018 4:31 pm
- Alchemical method
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- large SCF iteration time: wrong paralellism parameters?
by Artem » Wed Oct 17, 2018 6:07 pm
- 3 Replies
- 340 Views
- Last post by Artem
Fri Oct 26, 2018 10:14 am
- large SCF iteration time: wrong paralellism parameters?
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- monitor temperature during molecular dynamics
by sschmerler » Mon Jan 10, 2011 5:59 pm - 4 Replies
- 2028 Views
- Last post by Riping
Wed Oct 24, 2018 2:50 pm
- monitor temperature during molecular dynamics
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- Trying to calculate DOS for Ce4O8
by DrMcTaco » Thu Nov 21, 2013 7:56 pm - 1 Replies
- 825 Views
- Last post by shalom
Mon Oct 22, 2018 7:06 pm
- Trying to calculate DOS for Ce4O8
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- Orbital distribution
by aria » Wed Oct 17, 2018 7:15 pm - 2 Replies
- 234 Views
- Last post by elia
Sat Oct 20, 2018 7:23 pm
- Orbital distribution
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