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Marking answers for solved issues

Last post by pouillon « Fri Aug 09, 2013 12:56 pm
Posted in Configuring and compiling ABINIT

by pouillon » Fri Aug 09, 2013 12:56 pm » in Configuring and compiling ABINIT
This topic was posted 4060 days ago

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Last post by pouillon
Fri Aug 09, 2013 12:56 pm

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Error message for double definition of tolXXX [SOLVED]

Last post by mverstra « Mon Apr 01, 2019 2:05 pm

by mverstra » Mon Apr 01, 2019 2:05 pm
This topic was posted 1999 days ago

0 Replies

24220 Views

Last post by mverstra
Mon Apr 01, 2019 2:05 pm
tetrahedron table [SOLVED]

Last post by ryne60 « Wed Mar 27, 2019 9:35 am
Replies: 2
by ryne60 » Mon Mar 25, 2019 9:40 am
This topic was posted 2006 days ago

2 Replies

3968 Views

Last post by ryne60
Wed Mar 27, 2019 9:35 am
spin-orbit calculation with HSE functional

Last post by ryne60 « Mon Mar 25, 2019 9:35 am
Replies: 2
by ryne60 » Fri Mar 22, 2019 1:45 pm
This topic was posted 2009 days ago

2 Replies

2343 Views

Last post by ryne60
Mon Mar 25, 2019 9:35 am
Ga-N dimer

Last post by ebousquet « Fri Mar 22, 2019 5:20 pm
Replies: 1
by zav_16 » Fri Mar 15, 2019 9:09 am
This topic was posted 2016 days ago

1 Replies

1852 Views

Last post by ebousquet
Fri Mar 22, 2019 5:20 pm
Calculation in Gamma point only !!!

Last post by ebousquet « Thu Mar 21, 2019 12:43 pm
Replies: 1
by rogwar » Wed Mar 20, 2019 11:04 am
This topic was posted 2011 days ago

1 Replies

2091 Views

Last post by ebousquet
Thu Mar 21, 2019 12:43 pm
Band structure along symmetry lines using HSE functional

Last post by AdamOlejniczak « Tue Mar 19, 2019 9:59 am
Replies: 2
by anhhv » Thu Feb 28, 2019 3:15 pm
This topic was posted 2031 days ago

2 Replies

2641 Views

Last post by AdamOlejniczak
Tue Mar 19, 2019 9:59 am
output file of total energy vs acell

Last post by shalom « Mon Mar 18, 2019 2:55 am
Replies: 4
by BAMGBOSE, M. K. » Fri Jul 13, 2012 1:19 am
This topic was posted 4453 days ago

4 Replies

4063 Views

Last post by shalom
Mon Mar 18, 2019 2:55 am
SCF at small ecut and restart at larger ecut?

Last post by ebousquet « Thu Mar 14, 2019 3:17 pm
Replies: 1
by mdsimulationgroup » Sun Mar 10, 2019 1:25 pm
This topic was posted 2021 days ago

1 Replies

1936 Views

Last post by ebousquet
Thu Mar 14, 2019 3:17 pm
optcell Questions

Last post by ebousquet « Thu Mar 14, 2019 11:50 am
Replies: 1
by mdsimulationgroup » Sat Mar 09, 2019 1:27 am
This topic was posted 2023 days ago

1 Replies

1961 Views

Last post by ebousquet
Thu Mar 14, 2019 11:50 am
SCF at small ecut and restart at larger ecut?

Last post by mdsimulationgroup « Sun Mar 10, 2019 1:21 pm

by mdsimulationgroup » Sun Mar 10, 2019 1:21 pm
This topic was posted 2021 days ago

0 Replies

2622 Views

Last post by mdsimulationgroup
Sun Mar 10, 2019 1:21 pm
ionmov 1 with H, C, N, O

Last post by mdsimulationgroup « Fri Mar 08, 2019 6:29 pm
Replies: 1
by mdsimulationgroup » Tue Mar 05, 2019 8:06 pm
This topic was posted 2026 days ago

1 Replies

1977 Views

Last post by mdsimulationgroup
Fri Mar 08, 2019 6:29 pm
Pressure parameters [SOLVED]

Last post by jlwindy « Sun Mar 03, 2019 7:37 am
Replies: 4
by jlwindy » Tue Feb 19, 2019 11:35 am
This topic was posted 2040 days ago

4 Replies

4252 Views

Last post by jlwindy
Sun Mar 03, 2019 7:37 am
Slab optimization hints?

Last post by ebousquet « Sat Mar 02, 2019 11:37 am
Replies: 1
by mdsimulationgroup » Tue Feb 26, 2019 10:48 pm
This topic was posted 2033 days ago

1 Replies

1985 Views

Last post by ebousquet
Sat Mar 02, 2019 11:37 am
restarting scf calculation with a different set of kpoints [SOLVED]

Last post by ryne60 « Fri Mar 01, 2019 3:26 pm
Replies: 2
by ryne60 » Fri Mar 01, 2019 1:58 pm
This topic was posted 2030 days ago

2 Replies

3457 Views

Last post by ryne60
Fri Mar 01, 2019 3:26 pm
rprim and spacegroup [SOLVED]

Last post by elia « Thu Feb 28, 2019 4:38 am
Replies: 5
by elia » Sun Feb 17, 2019 6:43 pm
This topic was posted 2042 days ago

5 Replies

4711 Views

Last post by elia
Thu Feb 28, 2019 4:38 am
Energy increased with more kpoints

Last post by ebousquet « Tue Feb 26, 2019 4:01 pm
Replies: 1
by mdsimulationgroup » Tue Feb 26, 2019 12:38 pm
This topic was posted 2033 days ago

1 Replies

1844 Views

Last post by ebousquet
Tue Feb 26, 2019 4:01 pm
ngkpt for geometry optimization

Last post by ebousquet « Tue Feb 26, 2019 3:52 pm
Replies: 1
by mdsimulationgroup » Mon Feb 25, 2019 2:32 pm
This topic was posted 2034 days ago

1 Replies

1870 Views

Last post by ebousquet
Tue Feb 26, 2019 3:52 pm
Problems obtaining EOS [SOLVED]

Last post by AntonF « Fri Feb 22, 2019 11:14 am
Replies: 2
by AntonF » Wed Feb 06, 2019 12:52 pm
This topic was posted 2053 days ago

2 Replies

3451 Views

Last post by AntonF
Fri Feb 22, 2019 11:14 am
Troubles with relaxation when using ABINIT 8.8.4

Last post by ebousquet « Thu Feb 21, 2019 5:02 pm
Replies: 8
by CHILL » Wed Jan 30, 2019 10:55 am
This topic was posted 2060 days ago

8 Replies

6108 Views

Last post by ebousquet
Thu Feb 21, 2019 5:02 pm
The rhombohedral phase PZT

Last post by jlwindy « Thu Feb 21, 2019 3:14 pm
Replies: 1
by jlwindy » Tue Feb 19, 2019 7:56 am
This topic was posted 2040 days ago

1 Replies

1885 Views

Last post by jlwindy
Thu Feb 21, 2019 3:14 pm
ABINIT Documentation is insufficient

Last post by woffermans « Tue Feb 05, 2019 10:45 am
Replies: 4
by woffermans » Thu Jan 31, 2019 10:48 am
This topic was posted 2059 days ago

4 Replies

3522 Views

Last post by woffermans
Tue Feb 05, 2019 10:45 am
FCC and BCC non primitive unit cell

Last post by ebousquet « Fri Feb 01, 2019 6:00 pm
Replies: 1
by Hola » Wed Jan 30, 2019 5:13 pm
This topic was posted 2060 days ago

1 Replies

2155 Views

Last post by ebousquet
Fri Feb 01, 2019 6:00 pm
Automatic k-point generation

Last post by AntonF « Fri Feb 01, 2019 8:18 am

by AntonF » Fri Feb 01, 2019 8:18 am
This topic was posted 2058 days ago

0 Replies

2843 Views

Last post by AntonF
Fri Feb 01, 2019 8:18 am
Error: About to overwrite gbound array (FFT mesh too small)

Last post by en victory « Thu Jan 31, 2019 3:51 am
Replies: 1
by jbarrat » Mon Dec 17, 2018 11:50 pm
This topic was posted 2104 days ago

1 Replies

2143 Views

Last post by en victory
Thu Jan 31, 2019 3:51 am
Reading Image Wavefunctions Restart String Calculation

Last post by woffermans « Tue Jan 29, 2019 12:36 pm

by woffermans » Tue Jan 29, 2019 12:36 pm
This topic was posted 2061 days ago

0 Replies

2836 Views

Last post by woffermans
Tue Jan 29, 2019 12:36 pm

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