<div>Hello,</div><div>I have an issue regarding the PERIODIC_EFIELD option under the section MM. This should apply electric field of given intensity and polarisation. However, the part of input script (in bold):</div><div><br></div><div>....</div><div>
<span></span>
<p>
&END FORCEFIELD</p><p><b>&PERIODIC_EFIELD</b></p><b>
</b><p><b> INTENSITY 1</b></p><b>
</b><p><b> POLARISATION 1
0 0</b></p><b>
</b><p><b> &END
PERIODIC_EFIELD </b></p>
<p> &POISSON</p>
<p> &EWALD</p>
<p> EWALD_TYPE
spme</p>
<p> ALPHA .3</p>
<p> GMAX 12</p>
<p> O_SPLINE 6</p>
<p> &END EWALD</p>
<p> &END POISSON</p>
<p> &END MM</p><p><br></p><p>ends with an error:</p><p><br></p><p>
<span></span>
</p><p>
(BUSTER)jirasekv@elmo3-3:/storage/plzen1/home/jirasekv/MD/cp2k/NVT$
cp2k-Linux-x86-64-intel.popt -i NVT-1e9-TS.inp -o NVT-1e9-TS.out</p>
<p><br>
</p>
<p>
********************************************************************</p>
<p> *** 10:10:44
ERRORL2 in input_parsing:section_vals_parse unknown ***</p>
<p> *** subsection
PERIODIC_EFIELD of section MM ***</p>
<p>
********************************************************************</p>
<p><br>
</p>
<p>
</p>
<p> Looking for words
in the input similar to the unknown:
</p>
<p> 'PERIODIC_EFIELD'</p>
<p>
</p>
<p> subsection
PERIODIC_EFIELD in section %__ROOT__%FORCE_EVAL%DFT</p>
<p> keyword PERIODIC
in section %__ROOT__%MOTION%PINT%HELIUM</p>
<p> keyword PERIODIC
in section %__ROOT__%FORCE_EVAL%DFT%QS%SE</p>
<p> subsection
PERIODIC in section %__ROOT__%FORCE_EVAL%DFT%TDDFPT%XC%HF</p>
<p> subsection
PERIODIC in section %__ROOT__%FORCE_EVAL%DFT%XC%HF</p>
<p> enum PERIODIC in
section %__ROOT__%FORCE_EVAL%DFT%POISSON for keyword POISSON_SOLVER</p>
<p> enum PERIODIC in
section %__ROOT__%FORCE_EVAL%DFT%POISSON for keyword POISSON</p>
<p> enum PERIODIC in
section %__ROOT__%FORCE_EVAL%DFT%POISSON for keyword PSOLVER</p>
<p> keyword PERIODIC
in section %__ROOT__%FORCE_EVAL%DFT%POISSON</p>
<p> keyword PERIODIC
in section %__ROOT__%FORCE_EVAL%DFT%REAL_TIME_PROPAGATION</p>
<p> keyword PERIODIC
in section %__ROOT__%FORCE_EVAL%DFT%PRINT%LOCALIZATION%TOTAL_DIPOLE</p>
<p> keyword PERIODIC
in section
%__ROOT__%FORCE_EVAL%DFT%PRINT%LOCALIZATION%MOLECULAR_DIPOLES</p>
<p> keyword PERIODIC
in section %__ROOT__%FORCE_EVAL%DFT%PRINT%MOMENTS</p>
<p> enum PERIODIC in
section %__ROOT__%FORCE_EVAL%MM%POISSON for keyword POISSON_SOLVER</p>
<p> enum PERIODIC in
section %__ROOT__%FORCE_EVAL%MM%POISSON for keyword POISSON</p>
<p>
</p>
<p> CP2K
failed to parse the input file.</p>
<p> A full
description of the input for this CP2K version</p>
<p> can be
generated using:</p>
<p>
</p>
<p>
cp2k.sopt --html-manual</p>
<p>
</p>
<p> The
manual for the latest version of CP2K is online available:</p>
<p>
</p>
<p>
http://manual.cp2k.org/trunk</p>
<p>
</p>
<p> If
this input was an input of a previous version</p>
<p> of
CP2K, you can try to convert it with --permissive-echo.</p>
<p>
However, this will just ignore the unknown keywords ...</p>
<p>
</p>
<p> CP2K| Abnormal
program termination, stopped by process number 0</p>
<p>application called
MPI_Abort(MPI_COMM_WORLD, 1) - process 0</p><p><br></p><p>I am using cp2k version 4.1.</p><p>Please, advise. Thank you.</p><p><br></p><p>Vit Jirasek</p><p><br></p><p><br></p>
</div>
<p></p>
-- <br />
You received this message because you are subscribed to the Google Groups "cp2k" group.<br />
To unsubscribe from this group and stop receiving emails from it, send an email to <a href="mailto:cp2k+unsubscribe@googlegroups.com">cp2k+unsubscribe@googlegroups.com</a>.<br />
To view this discussion on the web visit <a href="https://groups.google.com/d/msgid/cp2k/efa646e0-d171-402d-a427-063888152937n%40googlegroups.com?utm_medium=email&utm_source=footer">https://groups.google.com/d/msgid/cp2k/efa646e0-d171-402d-a427-063888152937n%40googlegroups.com</a>.<br />