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Input file
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- Marking answers for solved issues
by pouillon » Fri Aug 09, 2013 12:56 pm - 0 Replies
- 37274 Views
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Fri Aug 09, 2013 12:56 pm
- Marking answers for solved issues
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- output file of total energy vs acell
by BAMGBOSE, M. K. » Fri Jul 13, 2012 1:19 am - 4 Replies
- 1084 Views
- Last post by shalom
Mon Mar 18, 2019 3:55 am
- output file of total energy vs acell
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- SCF at small ecut and restart at larger ecut?
by mdsimulationgroup » Sun Mar 10, 2019 2:21 pm - 0 Replies
- 11 Views
- Last post by mdsimulationgroup
Sun Mar 10, 2019 2:21 pm
- SCF at small ecut and restart at larger ecut?
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- optcell questions
by mdsimulationgroup » Sat Mar 09, 2019 2:25 am - 0 Replies
- 23 Views
- Last post by mdsimulationgroup
Sat Mar 09, 2019 2:25 am
- optcell questions
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- Pressure parameters [SOLVED]
by jlwindy » Tue Feb 19, 2019 12:35 pm - 4 Replies
- 94 Views
- Last post by jlwindy
Sun Mar 03, 2019 8:37 am
- Pressure parameters [SOLVED]
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- Some questions about slab calculations
by domakani » Tue Feb 26, 2019 6:56 pm
- 4 Replies
- 101 Views
- Last post by domakani
Sat Mar 02, 2019 11:26 am
- Some questions about slab calculations
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- restarting scf calculation with a different set of kpoints [SOLVED]
by ryne60 » Fri Mar 01, 2019 2:58 pm - 2 Replies
- 37 Views
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Fri Mar 01, 2019 4:26 pm
- restarting scf calculation with a different set of kpoints [SOLVED]
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- rprim and spacegroup [SOLVED]
by elia » Sun Feb 17, 2019 7:43 pm
- 5 Replies
- 105 Views
- Last post by elia
Thu Feb 28, 2019 5:38 am
- rprim and spacegroup [SOLVED]
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- Problems obtaining EOS [SOLVED]
by AntonF » Wed Feb 06, 2019 1:52 pm - 2 Replies
- 119 Views
- Last post by AntonF
Fri Feb 22, 2019 12:14 pm
- Problems obtaining EOS [SOLVED]
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- The rhombohedral phase PZT
by jlwindy » Tue Feb 19, 2019 8:56 am - 1 Replies
- 42 Views
- Last post by jlwindy
Thu Feb 21, 2019 4:14 pm
- The rhombohedral phase PZT
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- ABINIT Documentation is insufficient
by woffermans » Thu Jan 31, 2019 11:48 am - 4 Replies
- 90 Views
- Last post by woffermans
Tue Feb 05, 2019 11:45 am
- ABINIT Documentation is insufficient
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- FCC and BCC non primitive unit cell
by Hola » Wed Jan 30, 2019 6:13 pm - 1 Replies
- 65 Views
- Last post by ebousquet
Fri Feb 01, 2019 7:00 pm
- FCC and BCC non primitive unit cell
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- Error: About to overwrite gbound array (FFT mesh too small)
by jbarrat » Tue Dec 18, 2018 12:50 am - 1 Replies
- 171 Views
- Last post by en victory
Thu Jan 31, 2019 4:51 am
- Error: About to overwrite gbound array (FFT mesh too small)
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- Reading Image Wavefunctions Restart String Calculation
by woffermans » Tue Jan 29, 2019 1:36 pm - 0 Replies
- 68 Views
- Last post by woffermans
Tue Jan 29, 2019 1:36 pm
- Reading Image Wavefunctions Restart String Calculation
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- String Calculation Parallel over images and k-points [SOLVED]
by woffermans » Tue Nov 27, 2018 4:26 pm
- 3 Replies
- 261 Views
- Last post by woffermans
Mon Jan 28, 2019 10:53 am
- String Calculation Parallel over images and k-points [SOLVED]
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- Input File for a Ferromagnetism system
by Najmeh » Wed Nov 28, 2018 10:18 am
- 3 Replies
- 258 Views
- Last post by ebousquet
Sun Jan 27, 2019 11:41 am
- Input File for a Ferromagnetism system
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- Segmentation Fault during STRING calculation
by woffermans » Wed Jan 09, 2019 4:43 pm - 0 Replies
- 258 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
- 155 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
- 140 Views
- Last post by aliwho
Fri Jan 04, 2019 8:32 pm
- Relaxations diverge near minimum for systems with 30+ atoms
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- Again issue with pawovlp
by woffermans » Wed Dec 05, 2018 3:16 pm - 7 Replies
- 380 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
- 156 Views
- Last post by Benamrani
Tue Dec 18, 2018 11:51 pm
- wurzite optimized
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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
- 153 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
- 963 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
- 300 Views
- Last post by ebousquet
Wed Dec 05, 2018 11:11 am
- Reduce memory demand in rf
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- Band structure of Kesterites Cu2ZnSnS4 ? [SOLVED]
by new_986 » Sun Mar 25, 2018 4:33 pm
- 6 Replies
- 615 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
- 372 Views
- Last post by woffermans
Thu Nov 15, 2018 11:27 am
- Density went too small WARNING [SOLVED]
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