Using VASP

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Ab-initio MD calculations (smass, temperature, diiffusion)

Last post by support_vasp « Wed Sep 11, 2024 2:41 pm
Replies: 1
by amayuki » Mon May 30, 2011 6:38 pm

1 Replies

2663 Views

Last post by support_vasp
Wed Sep 11, 2024 2:41 pm
Help me to calculate the elastic constant please.

Last post by support_vasp « Wed Sep 11, 2024 2:41 pm
Replies: 1
by Narasuk.P » Wed May 25, 2011 1:01 pm

1 Replies

2044 Views

Last post by support_vasp
Wed Sep 11, 2024 2:41 pm
problem of calculating dielectric constant

Last post by support_vasp « Wed Sep 11, 2024 2:41 pm
Replies: 1
by pengx » Thu Jul 07, 2011 1:56 pm

1 Replies

2207 Views

Last post by support_vasp
Wed Sep 11, 2024 2:41 pm
Setting energy range for band structure calculations

Last post by support_vasp « Wed Sep 11, 2024 2:41 pm
Replies: 1
by kzhuo3 » Wed Jul 06, 2011 12:35 pm

1 Replies

1481 Views

Last post by support_vasp
Wed Sep 11, 2024 2:41 pm
Calculation for MD of small cluster

Last post by support_vasp « Wed Sep 11, 2024 2:41 pm
Replies: 1
by himadri.de » Tue Jul 05, 2011 2:12 pm

1 Replies

1077 Views

Last post by support_vasp
Wed Sep 11, 2024 2:41 pm
dft+d2 in vasp

Last post by support_vasp « Wed Sep 11, 2024 2:41 pm
Replies: 1
by cpopa » Sun Jul 03, 2011 11:30 pm

1 Replies

1198 Views

Last post by support_vasp
Wed Sep 11, 2024 2:41 pm
OPTIC - in OUTCAR file there is no dielectric function

Last post by support_vasp « Wed Sep 11, 2024 2:41 pm
Replies: 1
by hakan » Fri Jul 01, 2011 11:21 am

1 Replies

1607 Views

Last post by support_vasp
Wed Sep 11, 2024 2:41 pm
Big energy fluctuations from MD runs

Last post by support_vasp « Wed Sep 11, 2024 2:40 pm
Replies: 1
by tibeten » Wed Jun 29, 2011 10:42 pm

1 Replies

1161 Views

Last post by support_vasp
Wed Sep 11, 2024 2:40 pm
For HSE06 calculation, should I use ISIF=2 instead of 3 ?

Last post by support_vasp « Wed Sep 11, 2024 2:40 pm
Replies: 1
by Minki » Mon Jun 27, 2011 9:11 pm

1 Replies

1244 Views

Last post by support_vasp
Wed Sep 11, 2024 2:40 pm
wannier90

Last post by support_vasp « Wed Sep 11, 2024 2:40 pm
Replies: 1
by Sifimid » Thu Jul 30, 2009 11:42 am

1 Replies

1729 Views

Last post by support_vasp
Wed Sep 11, 2024 2:40 pm
Spin-orbit and magnetization component

Last post by support_vasp « Wed Sep 11, 2024 2:40 pm
Replies: 1
by brsahu » Fri May 22, 2009 7:24 pm

1 Replies

1860 Views

Last post by support_vasp
Wed Sep 11, 2024 2:40 pm
Tortional rigidity

Last post by support_vasp « Wed Sep 11, 2024 2:40 pm
Replies: 1
by monoj » Tue Dec 01, 2009 1:33 pm

1 Replies

1353 Views

Last post by support_vasp
Wed Sep 11, 2024 2:40 pm
Berry phase term in vasp5.2

Last post by support_vasp « Wed Sep 11, 2024 2:40 pm
Replies: 1
by jzzhao » Wed Jan 27, 2010 1:33 am

1 Replies

1383 Views

Last post by support_vasp
Wed Sep 11, 2024 2:40 pm
problem in calculating polarization with Berry Phase in large slab

Last post by support_vasp « Wed Sep 11, 2024 2:39 pm
Replies: 1
by KurtG » Mon Apr 26, 2010 8:10 am

1 Replies

1442 Views

Last post by support_vasp
Wed Sep 11, 2024 2:39 pm
higher precision on EIGENVAL values and spin-orbit splitting

Last post by support_vasp « Wed Sep 11, 2024 2:39 pm
Replies: 1
by cosmos » Mon Jul 27, 2009 5:08 am

1 Replies

1181 Views

Last post by support_vasp
Wed Sep 11, 2024 2:39 pm
Ionization Potential - strange results

Last post by support_vasp « Wed Sep 11, 2024 2:39 pm
Replies: 1
by aarondesk » Wed Jul 23, 2008 2:46 am

1 Replies

3312 Views

Last post by support_vasp
Wed Sep 11, 2024 2:39 pm
Young Modulus

Last post by support_vasp « Wed Sep 11, 2024 2:39 pm
Replies: 1
by skonar » Mon Nov 30, 2009 1:11 pm

1 Replies

1186 Views

Last post by support_vasp
Wed Sep 11, 2024 2:39 pm
Spin-orbit calculation warning

Last post by support_vasp « Wed Sep 11, 2024 2:39 pm
Replies: 1
by leostorm10 » Wed Apr 06, 2011 10:21 am

1 Replies

1318 Views

Last post by support_vasp
Wed Sep 11, 2024 2:39 pm
FCC 110 surface POSCAR

Last post by support_vasp « Wed Sep 11, 2024 2:39 pm
Replies: 1
by namorykeita » Wed Apr 06, 2011 2:47 am

1 Replies

1906 Views

Last post by support_vasp
Wed Sep 11, 2024 2:39 pm
Displacement drawing

Last post by support_vasp « Wed Sep 11, 2024 2:39 pm
Replies: 1
by mgrumski76 » Wed Apr 06, 2011 2:45 am

1 Replies

999 Views

Last post by support_vasp
Wed Sep 11, 2024 2:39 pm

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