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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 4061 days ago

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

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Self consistent field convergence not reaching

Last post by Seba Darshan « Thu Dec 10, 2015 1:31 pm
Replies: 2
by Seba Darshan » Tue Sep 15, 2015 11:24 am
This topic was posted 3294 days ago

2 Replies

3653 Views

Last post by Seba Darshan
Thu Dec 10, 2015 1:31 pm
Calculate 2D material applied vertical electrical field

Last post by ruixiangfei « Mon Dec 07, 2015 11:32 pm

by ruixiangfei » Mon Dec 07, 2015 11:32 pm
This topic was posted 3210 days ago

0 Replies

1740 Views

Last post by ruixiangfei
Mon Dec 07, 2015 11:32 pm
CdSe by Wurtzite structure

Last post by dmteter « Tue Dec 01, 2015 1:43 am
Replies: 1
by M.Hocine TEDJINI » Mon Nov 30, 2015 1:32 pm
This topic was posted 3218 days ago

1 Replies

2256 Views

Last post by dmteter
Tue Dec 01, 2015 1:43 am
How to do geometry optimization with defect?

Last post by raul_l « Mon Nov 23, 2015 11:43 am
Replies: 1
by raul_l » Mon Nov 16, 2015 1:37 pm
This topic was posted 3232 days ago

1 Replies

2967 Views

Last post by raul_l
Mon Nov 23, 2015 11:43 am
band structure of CdSe

Last post by M.Hocine TEDJINI « Thu Nov 12, 2015 3:12 pm
Replies: 1
by M.Hocine TEDJINI » Thu Oct 29, 2015 12:08 pm
This topic was posted 3250 days ago

1 Replies

2276 Views

Last post by M.Hocine TEDJINI
Thu Nov 12, 2015 3:12 pm
HELP input file ERROR

Last post by Jordan « Thu Nov 12, 2015 10:22 am
Replies: 1
by nayoung » Wed Nov 11, 2015 2:46 am
This topic was posted 3237 days ago

1 Replies

2230 Views

Last post by Jordan
Thu Nov 12, 2015 10:22 am
DMFT difference in Nb. of corr. elec. G_imp and G_loc

Last post by PhilippBa « Tue Nov 10, 2015 10:50 am
Replies: 2
by PhilippBa » Mon Nov 09, 2015 9:53 am
This topic was posted 3239 days ago

2 Replies

3622 Views

Last post by PhilippBa
Tue Nov 10, 2015 10:50 am
The WARNING:the minimization is stopped for this block

Last post by Jordan « Tue Nov 10, 2015 8:45 am
Replies: 5
by jianzhifu » Mon Aug 17, 2015 12:06 pm
This topic was posted 3323 days ago

5 Replies

5567 Views

Last post by Jordan
Tue Nov 10, 2015 8:45 am
Band structure calculations

Last post by Jordan « Thu Nov 05, 2015 12:28 pm
Replies: 1
by Ashish » Thu Nov 05, 2015 10:14 am
This topic was posted 3243 days ago

1 Replies

2248 Views

Last post by Jordan
Thu Nov 05, 2015 12:28 pm
Error resuming an ABINIT job

Last post by duran3618 « Fri Oct 30, 2015 4:26 pm

by duran3618 » Fri Oct 30, 2015 4:26 pm
This topic was posted 3249 days ago

0 Replies

1774 Views

Last post by duran3618
Fri Oct 30, 2015 4:26 pm
my bandgap is betw. 78 and 79 but it must be betw. 72 and 73

Last post by hcy_61 « Fri Oct 30, 2015 11:56 am

by hcy_61 » Fri Oct 30, 2015 11:56 am
This topic was posted 3249 days ago

0 Replies

1679 Views

Last post by hcy_61
Fri Oct 30, 2015 11:56 am
my crystal complex is 72 bands but calculation bands are 78.

Last post by hcy_61 « Mon Oct 26, 2015 9:06 am
Replies: 4
by hcy_61 » Tue Oct 20, 2015 10:02 pm
This topic was posted 3258 days ago

4 Replies

3637 Views

Last post by hcy_61
Mon Oct 26, 2015 9:06 am
Supported version of LibXC library

Last post by mcwang « Mon Oct 26, 2015 5:09 am

by mcwang » Mon Oct 26, 2015 5:09 am
This topic was posted 3253 days ago

0 Replies

1614 Views

Last post by mcwang
Mon Oct 26, 2015 5:09 am
about mixalch

Last post by Jordan « Thu Oct 22, 2015 9:00 am
Replies: 1
by qbaiyi » Wed Oct 21, 2015 9:59 am
This topic was posted 3258 days ago

1 Replies

2035 Views

Last post by Jordan
Thu Oct 22, 2015 9:00 am
ERROR - PAW SPHERES ARE OVERLAPPING !

Last post by anemonekgo « Sun Oct 18, 2015 2:51 am

by anemonekgo » Sun Oct 18, 2015 2:51 am
This topic was posted 3261 days ago

0 Replies

2600 Views

Last post by anemonekgo
Sun Oct 18, 2015 2:51 am
ABINIT 7.10.4 is not performed DATASET2 step within PBE0

Last post by Steve « Sat Oct 17, 2015 2:16 pm
Replies: 2
by Steve » Sat Oct 17, 2015 11:44 am
This topic was posted 3262 days ago

2 Replies

3203 Views

Last post by Steve
Sat Oct 17, 2015 2:16 pm
convergence of Ecut, acell and nkpt in same file [SOLVED]

Last post by Jordan « Thu Oct 15, 2015 11:27 am
Replies: 3
by M.Hocine TEDJINI » Sun Oct 11, 2015 5:50 pm
This topic was posted 3268 days ago

3 Replies

4950 Views

Last post by Jordan
Thu Oct 15, 2015 11:27 am
stops at Please give name of formatted atomic psp file

Last post by Jordan « Thu Oct 15, 2015 11:15 am
Replies: 1
by davydden » Tue Oct 13, 2015 4:21 pm
This topic was posted 3266 days ago

1 Replies

3072 Views

Last post by Jordan
Thu Oct 15, 2015 11:15 am
Different scf behavior between serial and parallel ABINIT

Last post by htakenaka « Tue Oct 13, 2015 7:47 pm
Replies: 4
by htakenaka » Wed Oct 07, 2015 6:00 pm
This topic was posted 3271 days ago

4 Replies

4132 Views

Last post by htakenaka
Tue Oct 13, 2015 7:47 pm
'magnetization' problem in the DFT+U

Last post by Boris « Mon Oct 12, 2015 8:38 am
Replies: 1
by yongchao.jia » Mon Jul 06, 2015 3:46 pm
This topic was posted 3365 days ago

1 Replies

2771 Views

Last post by Boris
Mon Oct 12, 2015 8:38 am
SrFe2AS2 tetragonal structure

Last post by sudipta « Mon Oct 12, 2015 8:09 am
Replies: 1
by sudipta » Mon Oct 12, 2015 8:07 am
This topic was posted 3267 days ago

1 Replies

2221 Views

Last post by sudipta
Mon Oct 12, 2015 8:09 am
band structure of Silicon (Si)

Last post by M.Hocine TEDJINI « Wed Oct 07, 2015 12:08 pm

by M.Hocine TEDJINI » Wed Oct 07, 2015 12:08 pm
This topic was posted 3272 days ago

0 Replies

2290 Views

Last post by M.Hocine TEDJINI
Wed Oct 07, 2015 12:08 pm
convergence problems in structure optimization

Last post by elena.mol « Wed Sep 30, 2015 11:38 am

by elena.mol » Wed Sep 30, 2015 11:38 am
This topic was posted 3279 days ago

0 Replies

2930 Views

Last post by elena.mol
Wed Sep 30, 2015 11:38 am
La2/3Sr1/3MnO3 tetragonal

Last post by jzwanzig « Tue Sep 29, 2015 2:46 pm
Replies: 3
by hammouri » Mon Sep 28, 2015 8:06 am
This topic was posted 3281 days ago

3 Replies

3628 Views

Last post by jzwanzig
Tue Sep 29, 2015 2:46 pm
LaMnO3 tetragonal

Last post by ebousquet « Tue Sep 29, 2015 1:54 pm
Replies: 1
by hammouri » Thu Sep 24, 2015 9:15 am
This topic was posted 3285 days ago

1 Replies

2064 Views

Last post by ebousquet
Tue Sep 29, 2015 1:54 pm

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