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Diverged energy during DFPT calculation.

Last post by abalone « Wed Jan 15, 2014 3:00 pm
Replies: 1
by abalone » Sun Jan 12, 2014 3:04 pm

1 Replies

4862 Views

Last post by abalone
Wed Jan 15, 2014 3:00 pm
absence of f-electrons in Sm_3 PAW-PBE potential

Last post by psghosh « Wed Jan 15, 2014 11:56 am
Replies: 2
by psghosh » Wed Jan 15, 2014 11:37 am

2 Replies

6077 Views

Last post by psghosh
Wed Jan 15, 2014 11:56 am
VASP/WANNIER90 interface out of date

Last post by leoant « Thu Jan 09, 2014 9:34 pm
Replies: 4
by myliu » Sun Oct 27, 2013 4:48 pm

4 Replies

13877 Views

Last post by leoant
Thu Jan 09, 2014 9:34 pm
Problems with vdW-DFT

Last post by brockp « Tue Jan 07, 2014 10:29 pm
Replies: 8
by jmorale4 » Wed Feb 06, 2013 3:58 am

8 Replies

15092 Views

Last post by brockp
Tue Jan 07, 2014 10:29 pm
local QP operation err

Last post by kuang « Wed Dec 11, 2013 11:02 pm
Replies: 2
by kuang » Mon Dec 09, 2013 4:36 pm

2 Replies

7008 Views

Last post by kuang
Wed Dec 11, 2013 11:02 pm
Error message when runing VASP on more than one node

Last post by sxy « Mon Dec 09, 2013 3:57 am
Replies: 9
by berni_k86 » Tue Feb 19, 2013 3:32 pm

9 Replies

15557 Views

Last post by sxy
Mon Dec 09, 2013 3:57 am
Hybrid functional calculation - segmentation fault

Last post by VBolnykh « Sun Dec 08, 2013 7:56 pm
Replies: 1
by VBolnykh » Sun Dec 08, 2013 10:25 am

1 Replies

4459 Views

Last post by VBolnykh
Sun Dec 08, 2013 7:56 pm
non-collinear: "LAPACK: Routine ZPOTRF failed!"

Last post by WJoost « Sun Dec 01, 2013 8:12 pm
Replies: 9
by lahaye » Fri Nov 24, 2006 11:50 pm

9 Replies

26050 Views

Last post by WJoost
Sun Dec 01, 2013 8:12 pm
error No initial positions read in

Last post by alex « Tue Nov 26, 2013 1:01 pm
Replies: 5
by nguyen » Mon Nov 25, 2013 7:23 pm

5 Replies

12324 Views

Last post by alex
Tue Nov 26, 2013 1:01 pm
errors in LOCPOT?

Last post by t.ossowski « Mon Nov 25, 2013 12:16 pm
Replies: 2
by t.ossowski » Wed Nov 13, 2013 10:35 am

2 Replies

5817 Views

Last post by t.ossowski
Mon Nov 25, 2013 12:16 pm
ELFCAR incomplete

Last post by mforti « Thu Nov 21, 2013 4:47 pm
Replies: 2
by duncand » Wed Sep 11, 2013 12:25 am

2 Replies

5011 Views

Last post by mforti
Thu Nov 21, 2013 4:47 pm
Exit Code 59

Last post by admin « Tue Nov 12, 2013 11:55 am
Replies: 3
by ajeyvenkat091 » Fri Nov 01, 2013 10:58 pm

3 Replies

8403 Views

Last post by admin
Tue Nov 12, 2013 11:55 am
Energy jump in relaxation of PbS supercell containing one vacancy

Last post by admin « Thu Nov 07, 2013 11:11 am
Replies: 1
by murphy » Wed Nov 06, 2013 5:33 pm

1 Replies

4680 Views

Last post by admin
Thu Nov 07, 2013 11:11 am
energy rose up in a re-do calculation

Last post by murphy « Wed Nov 06, 2013 5:02 pm
Replies: 4
by murphy » Tue Sep 24, 2013 11:41 am

4 Replies

6803 Views

Last post by murphy
Wed Nov 06, 2013 5:02 pm
Problem with a DGEGV parameter

Last post by annmattsson « Thu Oct 31, 2013 7:26 pm
Replies: 2
by smarocchi » Tue May 21, 2013 7:34 pm

2 Replies

5282 Views

Last post by annmattsson
Thu Oct 31, 2013 7:26 pm
Format of WAVECAR for spin-orbit coupling calculations

Last post by admin « Thu Oct 31, 2013 5:39 pm
Replies: 1
by jptrinastic » Thu Oct 31, 2013 4:42 pm

1 Replies

4881 Views

Last post by admin
Thu Oct 31, 2013 5:39 pm
Bandgap problems of bulk GaAs with G0W0 calculation

Last post by admin « Thu Oct 31, 2013 1:18 pm
Replies: 1
by Ken-Ming Lin » Thu Oct 31, 2013 3:24 am

1 Replies

4588 Views

Last post by admin
Thu Oct 31, 2013 1:18 pm
Not writing all the atom species in the OUTCAR

Last post by admin « Wed Oct 30, 2013 4:59 pm
Replies: 1
by l.bellarosa » Mon Oct 28, 2013 12:52 pm

1 Replies

4167 Views

Last post by admin
Wed Oct 30, 2013 4:59 pm
EDWAV internal error in gamma-only HSE calculations

Last post by kayahan « Mon Oct 21, 2013 2:28 am
Replies: 3
by xamnidar » Mon Nov 05, 2012 7:30 pm

3 Replies

10879 Views

Last post by kayahan
Mon Oct 21, 2013 2:28 am
when I do structural optimization with high accuracy, I find the calculation is difficult to converg

Last post by ljzhang123 « Wed Oct 16, 2013 2:17 pm
Replies: 4
by ljzhang123 » Wed Oct 16, 2013 10:07 am

4 Replies

10737 Views

Last post by ljzhang123
Wed Oct 16, 2013 2:17 pm

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