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Marking answers for solved issues

Last post by pouillon « Fri Aug 09, 2013 12:56 pm
Posted in Platform specific questions

by pouillon » Fri Aug 09, 2013 12:56 pm » in Platform specific questions
This topic was posted 2524 days ago

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Last post by pouillon
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How to define kpath for supercell structure

Last post by abgs01 « Mon Jul 06, 2020 4:16 pm

by abgs01 » Mon Jul 06, 2020 4:16 pm
This topic was posted 1 day ago

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Last post by abgs01
Mon Jul 06, 2020 4:16 pm
Calculation of energy for NaFeO2 (triclinic setting)

Last post by ebousquet « Mon Jul 06, 2020 2:58 pm
Replies: 2
by Artur1 » Sat Feb 06, 2016 7:40 pm
This topic was posted 1613 days ago

2 Replies

952 Views

Last post by ebousquet
Mon Jul 06, 2020 2:58 pm
The use of magnetic moment, kpoints, ionmov, supercells, and DOS

Last post by ebousquet « Mon Jul 06, 2020 2:45 pm
Replies: 4
by ssh77 » Mon Jun 15, 2020 7:04 pm
This topic was posted 22 days ago

4 Replies

111 Views

Last post by ebousquet
Mon Jul 06, 2020 2:45 pm
out of memory

Last post by ebousquet « Mon Jul 06, 2020 2:31 pm
Replies: 5
by suman » Fri May 29, 2020 6:59 am
This topic was posted 39 days ago

5 Replies

149 Views

Last post by ebousquet
Mon Jul 06, 2020 2:31 pm
End of the Input file

Last post by gmatteo « Thu Jul 02, 2020 2:47 am
Replies: 1
by ssh77 » Fri May 22, 2020 8:01 pm
This topic was posted 46 days ago

1 Replies

31 Views

Last post by gmatteo
Thu Jul 02, 2020 2:47 am
Erro

Last post by hameed1987 « Sun Jun 28, 2020 11:10 am

by hameed1987 » Sun Jun 28, 2020 11:10 am
This topic was posted 9 days ago

0 Replies

82 Views

Last post by hameed1987
Sun Jun 28, 2020 11:10 am
elasto-optic coefficients

Last post by jerkov « Thu Jun 25, 2020 11:36 pm
Replies: 4
by sevket simsek » Fri Oct 05, 2012 11:29 am
This topic was posted 2832 days ago

4 Replies

1590 Views

Last post by jerkov
Thu Jun 25, 2020 11:36 pm
Using spgroup correctly

Last post by gmatteo « Fri Jun 19, 2020 4:35 am
Replies: 5
by ssh77 » Fri Jun 05, 2020 5:58 pm
This topic was posted 32 days ago

5 Replies

177 Views

Last post by gmatteo
Fri Jun 19, 2020 4:35 am
SCF cycle is not starting

Last post by ssh77 « Fri Jun 12, 2020 12:47 pm
Replies: 6
by ssh77 » Wed Jun 03, 2020 4:07 pm
This topic was posted 34 days ago

6 Replies

179 Views

Last post by ssh77
Fri Jun 12, 2020 12:47 pm
Parallelization and convergence

Last post by erichmond « Fri Jun 12, 2020 2:37 am
Replies: 18
by erichmond » Sun Apr 19, 2020 11:48 pm
This topic was posted 78 days ago

18 Replies

581 Views

Last post by erichmond
Fri Jun 12, 2020 2:37 am
Phase transition under pressure?

Last post by new_986 « Thu Jun 11, 2020 12:13 pm
Replies: 4
by new_986 » Mon May 25, 2020 12:12 pm
This topic was posted 43 days ago

4 Replies

124 Views

Last post by new_986
Thu Jun 11, 2020 12:13 pm
kptopt in input for Wannier90

Last post by resu « Wed Jun 10, 2020 10:58 am

by resu » Wed Jun 10, 2020 10:58 am
This topic was posted 27 days ago

0 Replies

4 Views

Last post by resu
Wed Jun 10, 2020 10:58 am
Non primitive cells, space groups

Last post by ebousquet « Wed Jun 10, 2020 8:56 am
Replies: 3
by jerkov » Thu Jun 04, 2020 6:08 pm
This topic was posted 33 days ago

3 Replies

110 Views

Last post by ebousquet
Wed Jun 10, 2020 8:56 am
ipcel issue

Last post by ebousquet « Thu Jun 04, 2020 4:04 pm
Replies: 1
by kittysoman2013 » Sat May 23, 2020 10:37 am
This topic was posted 45 days ago

1 Replies

47 Views

Last post by ebousquet
Thu Jun 04, 2020 4:04 pm
Input file contents

Last post by ebousquet « Thu Jun 04, 2020 3:58 pm
Replies: 1
by ssh77 » Thu May 28, 2020 2:13 pm
This topic was posted 40 days ago

1 Replies

37 Views

Last post by ebousquet
Thu Jun 04, 2020 3:58 pm
U determination for oxygen monoclinic ?

Last post by ebousquet « Thu Jun 04, 2020 3:54 pm
Replies: 1
by kittysoman2013 » Fri May 29, 2020 5:02 pm
This topic was posted 39 days ago

1 Replies

35 Views

Last post by ebousquet
Thu Jun 04, 2020 3:54 pm
Xred for 2d Material such as MoS2, Be2C

Last post by ebousquet « Thu Jun 04, 2020 3:19 pm
Replies: 3
by wei » Wed Mar 11, 2020 6:13 am
This topic was posted 118 days ago

3 Replies

78 Views

Last post by ebousquet
Thu Jun 04, 2020 3:19 pm
optical properties

Last post by hameed1987 « Sat May 30, 2020 7:15 am

by hameed1987 » Sat May 30, 2020 7:15 am
This topic was posted 38 days ago

0 Replies

63 Views

Last post by hameed1987
Sat May 30, 2020 7:15 am
polarization in In2Se3

Last post by suman « Wed May 27, 2020 3:43 am
Replies: 2
by suman » Fri May 22, 2020 4:32 am
This topic was posted 46 days ago

2 Replies

92 Views

Last post by suman
Wed May 27, 2020 3:43 am
Optimization of tetragonal perovskit???

Last post by ebousquet « Mon May 18, 2020 11:14 am
Replies: 16
by new_986 » Mon Feb 24, 2020 11:47 am
This topic was posted 134 days ago

16 Replies

754 Views

Last post by ebousquet
Mon May 18, 2020 11:14 am
DOS of Alp using the tetrahedron method

Last post by erichmond « Fri May 01, 2020 4:51 am
Replies: 9
by domakani » Tue Oct 08, 2019 7:51 pm
This topic was posted 273 days ago

9 Replies

485 Views

Last post by erichmond
Fri May 01, 2020 4:51 am
Non Linear calculation input for ferromagnetic system

Last post by andyamygto « Sun Apr 26, 2020 9:06 pm
Replies: 8
by andyamygto » Tue Apr 07, 2020 7:11 pm
This topic was posted 91 days ago

8 Replies

368 Views

Last post by andyamygto
Sun Apr 26, 2020 9:06 pm
Calculation parallelization

Last post by ebousquet « Mon Apr 20, 2020 8:41 am
Replies: 1
by Vladyslav » Sun Mar 08, 2020 4:29 pm
This topic was posted 121 days ago

1 Replies

55 Views

Last post by ebousquet
Mon Apr 20, 2020 8:41 am
Tutorial on basic parallelism

Last post by ebousquet « Mon Apr 20, 2020 8:23 am
Replies: 1
by EchoTheCat » Sat Mar 21, 2020 6:58 pm
This topic was posted 108 days ago

1 Replies

44 Views

Last post by ebousquet
Mon Apr 20, 2020 8:23 am
how to generate phonon dispersion

Last post by ebousquet « Mon Apr 20, 2020 8:16 am
Replies: 1
by jane123 » Wed Mar 25, 2020 6:33 pm
This topic was posted 104 days ago

1 Replies

31 Views

Last post by ebousquet
Mon Apr 20, 2020 8:16 am

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