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Achieving step by step convergence by setting NELM

Last post by support_vasp « Tue Sep 10, 2024 2:36 pm
Replies: 1
by hipertrofia » Tue Apr 29, 2014 9:32 am

1 Replies

2817 Views

Last post by support_vasp
Tue Sep 10, 2024 2:36 pm
NPAR on massively parallel system

Last post by support_vasp « Tue Sep 10, 2024 2:36 pm
Replies: 1
by zzhlax » Tue Nov 19, 2013 10:42 am

1 Replies

2590 Views

Last post by support_vasp
Tue Sep 10, 2024 2:36 pm
did not call "init" before exiting? or exited without calling "finalise"?

Last post by support_vasp « Tue Sep 10, 2024 2:35 pm
Replies: 1
by ykn565 » Mon Nov 18, 2013 5:18 am

1 Replies

3341 Views

Last post by support_vasp
Tue Sep 10, 2024 2:35 pm
Problems with Climbing Image NEB

Last post by support_vasp « Tue Sep 10, 2024 2:35 pm
Replies: 1
by Juanda13 » Mon Nov 18, 2013 2:34 am

1 Replies

3194 Views

Last post by support_vasp
Tue Sep 10, 2024 2:35 pm
Bad converging of cadmium terminated CdTe with one adatom

Last post by support_vasp « Tue Sep 10, 2024 2:35 pm
Replies: 1
by enaderi42 » Fri Oct 18, 2013 4:28 pm

1 Replies

2623 Views

Last post by support_vasp
Tue Sep 10, 2024 2:35 pm
WARNING: CHECK: NIOND is too small with the VASP 5.3.3

Last post by support_vasp « Tue Sep 10, 2024 2:35 pm
Replies: 1
by lectezs » Tue Nov 12, 2013 6:45 pm

1 Replies

2630 Views

Last post by support_vasp
Tue Sep 10, 2024 2:35 pm
Invalid vasprun.xml during Nudged Elastic Band Calculation

Last post by support_vasp « Tue Sep 10, 2024 2:35 pm
Replies: 1
by bkappes » Tue Dec 17, 2013 12:11 am

1 Replies

2875 Views

Last post by support_vasp
Tue Sep 10, 2024 2:35 pm
How improve the HD-type speed of WAVECAR file

Last post by support_vasp « Tue Sep 10, 2024 2:35 pm
Replies: 1
by 5-1051 » Mon Oct 14, 2013 10:23 am

1 Replies

2542 Views

Last post by support_vasp
Tue Sep 10, 2024 2:35 pm
Error when doing HSE calculations

Last post by support_vasp « Tue Sep 10, 2024 2:34 pm
Replies: 1
by tanyaohua » Sun Dec 15, 2013 4:15 pm

1 Replies

3394 Views

Last post by support_vasp
Tue Sep 10, 2024 2:34 pm
This process did not call "init" before exiting ????

Last post by support_vasp « Tue Sep 10, 2024 2:34 pm
Replies: 1
by vasp_lobster » Sat Nov 09, 2013 6:21 pm

1 Replies

2894 Views

Last post by support_vasp
Tue Sep 10, 2024 2:34 pm
MD simulation NPT external pressure

Last post by support_vasp « Tue Sep 10, 2024 2:34 pm
Replies: 1
by t.liu » Mon Dec 09, 2013 12:05 pm

1 Replies

3450 Views

Last post by support_vasp
Tue Sep 10, 2024 2:34 pm
convergence for optB88-vdW calculations

Last post by support_vasp « Tue Sep 10, 2024 2:34 pm
Replies: 1
by wji » Wed Dec 11, 2013 11:11 pm

1 Replies

2948 Views

Last post by support_vasp
Tue Sep 10, 2024 2:34 pm
help

Last post by support_vasp « Tue Sep 10, 2024 2:34 pm
Replies: 1
by TarekHammad » Sat Dec 07, 2013 12:09 pm

1 Replies

2893 Views

Last post by support_vasp
Tue Sep 10, 2024 2:34 pm
scGW calculation problem related to LPEAD

Last post by support_vasp « Tue Sep 10, 2024 2:34 pm
Replies: 1
by sheldon » Fri Sep 20, 2013 9:42 pm

1 Replies

2539 Views

Last post by support_vasp
Tue Sep 10, 2024 2:34 pm
PBE0 calculation

Last post by support_vasp « Tue Sep 10, 2024 2:34 pm
Replies: 1
by dingbangfu » Mon Sep 16, 2013 4:38 am

1 Replies

2613 Views

Last post by support_vasp
Tue Sep 10, 2024 2:34 pm
VASP calculations with finite electric field

Last post by support_vasp « Tue Sep 10, 2024 2:34 pm
Replies: 1
by zhouqb » Mon Oct 28, 2013 8:37 pm

1 Replies

2671 Views

Last post by support_vasp
Tue Sep 10, 2024 2:34 pm
elastic moduli for large system by vasp5.2

Last post by support_vasp « Tue Sep 10, 2024 2:33 pm
Replies: 1
by happyxiaohai » Fri Oct 25, 2013 12:02 pm

1 Replies

2439 Views

Last post by support_vasp
Tue Sep 10, 2024 2:33 pm
Vibrational analysis with VASP/ASE

Last post by support_vasp « Tue Sep 10, 2024 2:33 pm
Replies: 1
by Ghorbanpour » Fri Sep 06, 2013 12:38 am

1 Replies

2633 Views

Last post by support_vasp
Tue Sep 10, 2024 2:33 pm
Band gap of Graphene with soc

Last post by support_vasp « Tue Sep 10, 2024 2:33 pm
Replies: 1
by Beijixiong » Fri Oct 18, 2013 6:51 pm

1 Replies

2949 Views

Last post by support_vasp
Tue Sep 10, 2024 2:33 pm
How many processors can I use with KPAR Paralellization?

Last post by support_vasp « Tue Sep 10, 2024 2:33 pm
Replies: 1
by hachteja » Thu Oct 17, 2013 5:02 pm

1 Replies

2310 Views

Last post by support_vasp
Tue Sep 10, 2024 2:33 pm

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