Using VASP

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About equilibrium volume, which scheme is more reasonable?

Last post by support_vasp « Wed Sep 11, 2024 2:44 pm
Replies: 1
by gbliu » Thu Aug 18, 2011 11:03 pm

1 Replies

1168 Views

Last post by support_vasp
Wed Sep 11, 2024 2:44 pm
cell volume not relax

Last post by support_vasp « Wed Sep 11, 2024 2:44 pm
Replies: 1
by tragody » Thu Aug 18, 2011 1:35 am

1 Replies

970 Views

Last post by support_vasp
Wed Sep 11, 2024 2:44 pm
gradients with and without vdw correction

Last post by support_vasp « Wed Sep 11, 2024 2:43 pm
Replies: 1
by asaf » Mon Aug 15, 2011 5:33 pm

1 Replies

886 Views

Last post by support_vasp
Wed Sep 11, 2024 2:43 pm
selective dynamics problem

Last post by support_vasp « Wed Sep 11, 2024 2:43 pm
Replies: 1
by izumikonata » Sat Aug 13, 2011 12:43 am

1 Replies

888 Views

Last post by support_vasp
Wed Sep 11, 2024 2:43 pm
vdW-DF calculation problem

Last post by support_vasp « Wed Sep 11, 2024 2:43 pm
Replies: 1
by minglei288 » Fri Aug 12, 2011 7:36 pm

1 Replies

1534 Views

Last post by support_vasp
Wed Sep 11, 2024 2:43 pm
Plotting a 3D Fermi surface

Last post by support_vasp « Wed Sep 11, 2024 2:43 pm
Replies: 1
by aftab » Fri Aug 12, 2011 2:53 am

1 Replies

1553 Views

Last post by support_vasp
Wed Sep 11, 2024 2:43 pm
What's the meaning of the "*c"term in the OUTCAR of berry phase calculations

Last post by support_vasp « Wed Sep 11, 2024 2:43 pm
Replies: 1
by zhangsg » Thu Aug 11, 2011 12:20 pm

1 Replies

872 Views

Last post by support_vasp
Wed Sep 11, 2024 2:43 pm
PBE0 and forced occupation

Last post by support_vasp « Wed Sep 11, 2024 2:43 pm
Replies: 1
by emily.t » Wed Aug 10, 2011 7:38 pm

1 Replies

903 Views

Last post by support_vasp
Wed Sep 11, 2024 2:43 pm
Dielectric Constant

Last post by support_vasp « Wed Sep 11, 2024 2:43 pm
Replies: 1
by mayankaditya » Wed May 18, 2011 12:48 pm

1 Replies

1157 Views

Last post by support_vasp
Wed Sep 11, 2024 2:43 pm
modified Becke-Johnson potential

Last post by support_vasp « Wed Sep 11, 2024 2:43 pm
Replies: 1
by lamoen » Wed Jun 22, 2011 10:53 pm

1 Replies

1358 Views

Last post by support_vasp
Wed Sep 11, 2024 2:43 pm
cohesive energy

Last post by support_vasp « Wed Sep 11, 2024 2:42 pm
Replies: 1
by gueddida » Fri Apr 08, 2011 1:31 pm

1 Replies

953 Views

Last post by support_vasp
Wed Sep 11, 2024 2:42 pm
FFT grid and cutoff energy.

Last post by support_vasp « Wed Sep 11, 2024 2:42 pm
Replies: 1
by zhaohs.dft » Tue May 31, 2011 5:05 pm

1 Replies

1161 Views

Last post by support_vasp
Wed Sep 11, 2024 2:42 pm
Chemical potential of N2

Last post by support_vasp « Wed Sep 11, 2024 2:42 pm
Replies: 1
by okeke » Fri Jul 15, 2011 12:35 am

1 Replies

1404 Views

Last post by support_vasp
Wed Sep 11, 2024 2:42 pm
Effective pressure due to surface tension

Last post by support_vasp « Wed Sep 11, 2024 2:42 pm
Replies: 1
by chris_feigl » Tue May 31, 2011 1:04 pm

1 Replies

1256 Views

Last post by support_vasp
Wed Sep 11, 2024 2:42 pm
forrtl: severe (41): insufficient virtual memory

Last post by support_vasp « Wed Sep 11, 2024 2:42 pm
Replies: 1
by s9811016 » Thu Apr 07, 2011 1:26 pm

1 Replies

2984 Views

Last post by support_vasp
Wed Sep 11, 2024 2:42 pm
Of DOS projected on localized molecular orbital

Last post by support_vasp « Wed Sep 11, 2024 2:42 pm
Replies: 1
by yellowice » Thu Jul 14, 2011 1:33 pm

1 Replies

1066 Views

Last post by support_vasp
Wed Sep 11, 2024 2:42 pm
calculation of plasmon frequency

Last post by support_vasp « Wed Sep 11, 2024 2:41 pm
Replies: 1
by lamoen » Mon May 30, 2011 7:56 pm

1 Replies

1644 Views

Last post by support_vasp
Wed Sep 11, 2024 2:41 pm
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

2437 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

1811 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

2022 Views

Last post by support_vasp
Wed Sep 11, 2024 2:41 pm

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