Using VASP

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force convergence : difficult to acheive for Y2Ti2O7

Last post by support_vasp « Wed Sep 11, 2024 1:56 pm
Replies: 1
by prithwish » Sat Nov 29, 2008 12:32 pm

1 Replies

3606 Views

Last post by support_vasp
Wed Sep 11, 2024 1:56 pm
dipolar correction

Last post by support_vasp « Wed Sep 11, 2024 1:55 pm
Replies: 1
by FLC » Wed Nov 26, 2008 12:10 pm

1 Replies

1243 Views

Last post by support_vasp
Wed Sep 11, 2024 1:55 pm
relative energy in charged system

Last post by support_vasp « Wed Sep 11, 2024 1:55 pm
Replies: 1
by TMAC » Mon Nov 24, 2008 2:43 am

1 Replies

1469 Views

Last post by support_vasp
Wed Sep 11, 2024 1:55 pm
ERROR: there must be 1 or 3 items on line 2 of POSCAR

Last post by support_vasp « Wed Sep 11, 2024 1:55 pm
Replies: 1
by cosmos » Fri Sep 26, 2008 6:17 am

1 Replies

3925 Views

Last post by support_vasp
Wed Sep 11, 2024 1:55 pm
about high pressure calculation

Last post by support_vasp « Wed Sep 11, 2024 1:55 pm
Replies: 1
by GUAN » Mon Nov 17, 2008 5:12 am

1 Replies

1655 Views

Last post by support_vasp
Wed Sep 11, 2024 1:55 pm
reaction parameters

Last post by support_vasp « Wed Sep 11, 2024 1:55 pm
Replies: 1
by chemical02 » Fri Sep 19, 2008 4:52 pm

1 Replies

1290 Views

Last post by support_vasp
Wed Sep 11, 2024 1:55 pm
some problems about NUPDOWN

Last post by support_vasp « Wed Sep 11, 2024 1:55 pm
Replies: 1
by linglin » Wed Nov 12, 2008 6:07 am

1 Replies

1368 Views

Last post by support_vasp
Wed Sep 11, 2024 1:55 pm
neb results analysis

Last post by support_vasp « Wed Sep 11, 2024 1:55 pm
Replies: 1
by lanjh » Wed Apr 09, 2008 7:52 am

1 Replies

1650 Views

Last post by support_vasp
Wed Sep 11, 2024 1:55 pm
Suspicious energy and eigenvalue for complex-valued wavefunction

Last post by support_vasp « Wed Sep 11, 2024 1:54 pm
Replies: 1
by zhouf » Tue Dec 23, 2008 9:01 pm

1 Replies

1261 Views

Last post by support_vasp
Wed Sep 11, 2024 1:54 pm
Lande' g-factor

Last post by support_vasp « Wed Sep 11, 2024 1:54 pm
Replies: 1
by igor » Thu May 24, 2007 7:31 am

1 Replies

2332 Views

Last post by support_vasp
Wed Sep 11, 2024 1:54 pm
enthalpy versus pressure

Last post by support_vasp « Wed Sep 11, 2024 1:54 pm
Replies: 1
by linhe19802003 » Tue Dec 23, 2008 7:22 am

1 Replies

1365 Views

Last post by support_vasp
Wed Sep 11, 2024 1:54 pm
including electric dipole field in the calculation

Last post by support_vasp « Wed Sep 11, 2024 1:49 pm
Replies: 1
by puspamitra » Tue Nov 11, 2008 8:24 pm

1 Replies

1352 Views

Last post by support_vasp
Wed Sep 11, 2024 1:49 pm
Wurtzite structure help

Last post by support_vasp « Wed Sep 11, 2024 1:49 pm
Replies: 1
by dwan » Sun Nov 09, 2008 8:34 pm

1 Replies

2492 Views

Last post by support_vasp
Wed Sep 11, 2024 1:49 pm
WARNING: grid for Broyden might be to small

Last post by support_vasp « Wed Sep 11, 2024 1:49 pm
Replies: 1
by hlzya » Fri Nov 07, 2008 11:20 pm

1 Replies

1819 Views

Last post by support_vasp
Wed Sep 11, 2024 1:49 pm
calculation for solution phase

Last post by support_vasp « Wed Sep 11, 2024 1:49 pm
Replies: 1
by mzzhou » Sun Nov 02, 2008 5:33 am

1 Replies

1183 Views

Last post by support_vasp
Wed Sep 11, 2024 1:49 pm
very slow electronic convergence for FeCrNi

Last post by support_vasp « Wed Sep 11, 2024 1:49 pm
Replies: 1
by peterklaver » Thu Oct 30, 2008 2:45 pm

1 Replies

1801 Views

Last post by support_vasp
Wed Sep 11, 2024 1:49 pm
Manipulating spin-orbit coupling

Last post by support_vasp « Wed Sep 11, 2024 1:49 pm
Replies: 1
by magal » Mon Oct 27, 2008 2:59 pm

1 Replies

1382 Views

Last post by support_vasp
Wed Sep 11, 2024 1:49 pm
LAPACK: Routine ZPOTRF failed!

Last post by support_vasp « Wed Sep 11, 2024 1:49 pm
Replies: 1
by okuno » Mon Oct 27, 2008 2:23 pm

1 Replies

1530 Views

Last post by support_vasp
Wed Sep 11, 2024 1:49 pm
Having a question about the PAW potential

Last post by support_vasp « Wed Sep 11, 2024 1:48 pm
Replies: 1
by MDrizzle » Mon Oct 27, 2008 1:00 am

1 Replies

1276 Views

Last post by support_vasp
Wed Sep 11, 2024 1:48 pm
What means th LUDCMP?

Last post by support_vasp « Wed Sep 11, 2024 1:48 pm
Replies: 1
by chlee » Wed Oct 15, 2008 9:53 pm

1 Replies

1817 Views

Last post by support_vasp
Wed Sep 11, 2024 1:48 pm

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