Ground state
Moderator: bguster
-
- Announcements
- Replies
- Views
- Last post
-
-
Marking answers for solved issues
by pouillon » Fri Aug 09, 2013 12:56 pm » in Configuring and compiling ABINITThis topic was posted 3906 days ago - 0 Replies
- 112771 Views
-
Last post by pouillon
Fri Aug 09, 2013 12:56 pm
-
-
- Topics
- Replies
- Views
- Last post
-
- 6 Replies
- 3791 Views
-
Last post by ssh77
Fri Jun 12, 2020 12:47 pm
-
-
Parallelization and convergence
by erichmond » Sun Apr 19, 2020 11:48 pmThis topic was posted 1461 days ago - 18 Replies
- 10004 Views
-
Last post by erichmond
Fri Jun 12, 2020 2:37 am
-
-
-
Phase transition under pressure?
by new_986 » Mon May 25, 2020 12:12 pmThis topic was posted 1425 days ago - 4 Replies
- 3273 Views
-
Last post by new_986
Thu Jun 11, 2020 12:13 pm
-
-
-
kptopt in input for Wannier90
by resu » Wed Jun 10, 2020 10:58 amThis topic was posted 1409 days ago - 0 Replies
- 3039 Views
-
Last post by resu
Wed Jun 10, 2020 10:58 am
-
-
-
Non primitive cells, space groups [SOLVED]
by jerkov » Thu Jun 04, 2020 6:08 pmThis topic was posted 1415 days ago - 3 Replies
- 3783 Views
-
Last post by ebousquet
Wed Jun 10, 2020 8:56 am
-
-
- 1 Replies
- 1831 Views
-
Last post by ebousquet
Thu Jun 04, 2020 4:04 pm
-
- 1 Replies
- 1719 Views
-
Last post by ebousquet
Thu Jun 04, 2020 3:58 pm
-
-
U determination for oxygen monoclinic ?
by kittysoman2013 » Fri May 29, 2020 5:02 pmThis topic was posted 1421 days ago - 1 Replies
- 1757 Views
-
Last post by ebousquet
Thu Jun 04, 2020 3:54 pm
-
-
-
Xred for 2d Material such as MoS2, Be2C
by wei » Wed Mar 11, 2020 6:13 amThis topic was posted 1500 days ago - 3 Replies
- 2780 Views
-
Last post by ebousquet
Thu Jun 04, 2020 3:19 pm
-
-
- 0 Replies
- 3131 Views
-
Last post by hameed1987
Sat May 30, 2020 7:15 am
-
- 2 Replies
- 2297 Views
-
Last post by suman
Wed May 27, 2020 3:43 am
-
-
Optimization of tetragonal perovskit???
by new_986 » Mon Feb 24, 2020 11:47 amThis topic was posted 1516 days ago - 16 Replies
- 12545 Views
-
Last post by ebousquet
Mon May 18, 2020 11:14 am
-
-
-
DOS of Alp using the tetrahedron method
by domakani » Tue Oct 08, 2019 7:51 pmThis topic was posted 1655 days ago - 9 Replies
- 5529 Views
-
Last post by erichmond
Fri May 01, 2020 4:51 am
-
-
-
Calculation parallelization
by Vladyslav » Sun Mar 08, 2020 4:29 pmThis topic was posted 1503 days ago - 1 Replies
- 1720 Views
-
Last post by ebousquet
Mon Apr 20, 2020 8:41 am
-
-
-
Tutorial on basic parallelism
by EchoTheCat » Sat Mar 21, 2020 6:58 pmThis topic was posted 1490 days ago - 1 Replies
- 1822 Views
-
Last post by ebousquet
Mon Apr 20, 2020 8:23 am
-
-
-
how to generate phonon dispersion
by jane123 » Wed Mar 25, 2020 6:33 pmThis topic was posted 1486 days ago - 1 Replies
- 1672 Views
-
Last post by ebousquet
Mon Apr 20, 2020 8:16 am
-
-
-
Errors of NLO calculation with "anaddb < tnlo_5.files"
by cocoinsky » Sat Apr 04, 2020 4:21 pmThis topic was posted 1476 days ago - 1 Replies
- 1830 Views
-
Last post by ebousquet
Mon Apr 20, 2020 8:13 am
-
-
- 2 Replies
- 2613 Views
-
Last post by hameed1987
Sun Apr 19, 2020 10:14 am
-
-
K-resolved projection of the eigenstates
by CHILL » Wed Mar 18, 2020 4:50 pmThis topic was posted 1493 days ago - 2 Replies
- 2414 Views
-
Last post by CHILL
Sat Apr 04, 2020 6:39 pm
-
-
-
Input file for optimization
by hameed1987 » Sat Feb 29, 2020 6:42 amThis topic was posted 1511 days ago - 4 Replies
- 3489 Views
-
Last post by ebousquet
Mon Mar 30, 2020 9:51 am
-
-
- 0 Replies
- 2292 Views
-
Last post by EchoTheCat
Sun Mar 22, 2020 5:56 am
-
-
[CORRECTED 6.6] BoltzTrap output - prtbltztrp variable
by nikolaij » Thu Feb 24, 2011 6:25 pmThis topic was posted 4803 days ago - 6 Replies
- 6846 Views
-
Last post by saikrishna
Wed Mar 18, 2020 11:25 am
-
-
-
Failing to relax a 2D structure
by CHILL » Mon Jan 27, 2020 2:30 pmThis topic was posted 1544 days ago - 3 Replies
- 3108 Views
-
Last post by CHILL
Tue Mar 17, 2020 1:53 pm
-
-
-
Positron calculations fail with forrtl: severe (174): SIGSEGV, segmentation fault occurred
by rajaraman » Wed Mar 11, 2020 12:48 pmThis topic was posted 1500 days ago - 1 Replies
- 2059 Views
-
Last post by rajaraman
Mon Mar 16, 2020 12:20 pm
-
-
-
Determining xred, rprim, and shiftk
by erichmond » Wed Jan 29, 2020 2:43 amThis topic was posted 1542 days ago - 2 Replies
- 3144 Views
-
Last post by erichmond
Fri Mar 13, 2020 8:11 pm
-