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Marking answers for solved issues
by pouillon » Fri Aug 09, 2013 12:56 pm » in Configuring and compiling ABINITThis topic was posted 3885 days ago - 0 Replies
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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
by Seba Darshan » Tue Sep 15, 2015 11:24 amThis topic was posted 3118 days ago - 2 Replies
- 3191 Views
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Last post by Seba Darshan
Thu Dec 10, 2015 1:31 pm
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Calculate 2D material applied vertical electrical field
by ruixiangfei » Mon Dec 07, 2015 11:32 pmThis topic was posted 3034 days ago - 0 Replies
- 1666 Views
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Last post by ruixiangfei
Mon Dec 07, 2015 11:32 pm
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CdSe by Wurtzite structure
by M.Hocine TEDJINI » Mon Nov 30, 2015 1:32 pmThis topic was posted 3042 days ago - 1 Replies
- 2142 Views
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Last post by dmteter
Tue Dec 01, 2015 1:43 am
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How to do geometry optimization with defect?
by raul_l » Mon Nov 16, 2015 1:37 pmThis topic was posted 3056 days ago - 1 Replies
- 2725 Views
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Last post by raul_l
Mon Nov 23, 2015 11:43 am
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band structure of CdSe
by M.Hocine TEDJINI » Thu Oct 29, 2015 12:08 pmThis topic was posted 3074 days ago - 1 Replies
- 2153 Views
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Last post by M.Hocine TEDJINI
Thu Nov 12, 2015 3:12 pm
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- 1 Replies
- 2115 Views
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Last post by Jordan
Thu Nov 12, 2015 10:22 am
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DMFT difference in Nb. of corr. elec. G_imp and G_loc
by PhilippBa » Mon Nov 09, 2015 9:53 amThis topic was posted 3063 days ago - 2 Replies
- 3215 Views
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Last post by PhilippBa
Tue Nov 10, 2015 10:50 am
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The WARNING:the minimization is stopped for this block
by jianzhifu » Mon Aug 17, 2015 12:06 pmThis topic was posted 3147 days ago - 5 Replies
- 5183 Views
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Last post by Jordan
Tue Nov 10, 2015 8:45 am
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Band structure calculations
by Ashish » Thu Nov 05, 2015 10:14 amThis topic was posted 3067 days ago - 1 Replies
- 2114 Views
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Last post by Jordan
Thu Nov 05, 2015 12:28 pm
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Error resuming an ABINIT job
by duran3618 » Fri Oct 30, 2015 4:26 pmThis topic was posted 3073 days ago - 0 Replies
- 1692 Views
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Last post by duran3618
Fri Oct 30, 2015 4:26 pm
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my bandgap is betw. 78 and 79 but it must be betw. 72 and 73
by hcy_61 » Fri Oct 30, 2015 11:56 amThis topic was posted 3073 days ago - 0 Replies
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Last post by hcy_61
Fri Oct 30, 2015 11:56 am
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my crystal complex is 72 bands but calculation bands are 78.
by hcy_61 » Tue Oct 20, 2015 10:02 pmThis topic was posted 3082 days ago - 4 Replies
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Last post by hcy_61
Mon Oct 26, 2015 9:06 am
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Supported version of LibXC library
by mcwang » Mon Oct 26, 2015 5:09 amThis topic was posted 3077 days ago - 0 Replies
- 1546 Views
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Last post by mcwang
Mon Oct 26, 2015 5:09 am
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- 1 Replies
- 1907 Views
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Last post by Jordan
Thu Oct 22, 2015 9:00 am
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ERROR - PAW SPHERES ARE OVERLAPPING !
by anemonekgo » Sun Oct 18, 2015 2:51 amThis topic was posted 3085 days ago - 0 Replies
- 2450 Views
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Last post by anemonekgo
Sun Oct 18, 2015 2:51 am
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ABINIT 7.10.4 is not performed DATASET2 step within PBE0
by Steve » Sat Oct 17, 2015 11:44 amThis topic was posted 3086 days ago - 2 Replies
- 3031 Views
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Last post by Steve
Sat Oct 17, 2015 2:16 pm
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convergence of Ecut, acell and nkpt in same file [SOLVED]
by M.Hocine TEDJINI » Sun Oct 11, 2015 5:50 pmThis topic was posted 3092 days ago - 3 Replies
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Last post by Jordan
Thu Oct 15, 2015 11:27 am
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stops at Please give name of formatted atomic psp file
by davydden » Tue Oct 13, 2015 4:21 pmThis topic was posted 3090 days ago - 1 Replies
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Last post by Jordan
Thu Oct 15, 2015 11:15 am
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Different scf behavior between serial and parallel ABINIT
by htakenaka » Wed Oct 07, 2015 6:00 pmThis topic was posted 3096 days ago - 4 Replies
- 3933 Views
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Last post by htakenaka
Tue Oct 13, 2015 7:47 pm
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'magnetization' problem in the DFT+U
by yongchao.jia » Mon Jul 06, 2015 3:46 pmThis topic was posted 3189 days ago - 1 Replies
- 2624 Views
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Last post by Boris
Mon Oct 12, 2015 8:38 am
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SrFe2AS2 tetragonal structure
by sudipta » Mon Oct 12, 2015 8:07 amThis topic was posted 3091 days ago - 1 Replies
- 2094 Views
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Last post by sudipta
Mon Oct 12, 2015 8:09 am
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band structure of Silicon (Si)
by M.Hocine TEDJINI » Wed Oct 07, 2015 12:08 pmThis topic was posted 3096 days ago - 0 Replies
- 2183 Views
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Last post by M.Hocine TEDJINI
Wed Oct 07, 2015 12:08 pm
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convergence problems in structure optimization
by elena.mol » Wed Sep 30, 2015 11:38 amThis topic was posted 3103 days ago - 0 Replies
- 2838 Views
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Last post by elena.mol
Wed Sep 30, 2015 11:38 am
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La2/3Sr1/3MnO3 tetragonal
by hammouri » Mon Sep 28, 2015 8:06 amThis topic was posted 3105 days ago - 3 Replies
- 3221 Views
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Last post by jzwanzig
Tue Sep 29, 2015 2:46 pm
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- 1 Replies
- 1946 Views
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Last post by ebousquet
Tue Sep 29, 2015 1:54 pm