Using VASP

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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

1023 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

947 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

969 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

1600 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

1631 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

952 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

958 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

1237 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

1418 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

1031 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

1259 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

1499 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

1352 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

3153 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

1152 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

1770 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

2556 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

1938 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

2126 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

1415 Views

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

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