removed test output

git-svn-id: http://qboxcode.org/svn/qb/trunk@1178 cba15fb0-1239-40c8-b417-11db7ca47a34

test/si4mlwf/test.r

-<?xml version="1.0" encoding="UTF-8"?>
-<fpmd:simulation xmlns:fpmd="http://www.quantum-simulation.org/ns/fpmd/fpmd-1.0">
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-                   I http://eslab.ucdavis.edu I
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-<release> wrk pavane </release>
-<svn_version> 1174 </svn_version>
-<user> fgygi </user>
-<sysname> Linux </sysname>
-<nodename> pavane.ucdavis.edu </nodename>
-<start_time> 2012-04-25T17:38:09Z </start_time>
-<mpi_processes count="4">
-<process id="0"> pavane.ucdavis.edu </process>
-<process id="1"> pavane.ucdavis.edu </process>
-<process id="2"> pavane.ucdavis.edu </process>
-<process id="3"> pavane.ucdavis.edu </process>
-</mpi_processes>
-[qbox] <cmd># Si4 MLWF</cmd>
-[qbox] <cmd>load ../si4gs/test.xml</cmd>
- LoadCmd: loading from ../si4gs/test.xml
- SampleReader: reading from file ../si4gs/test.xml size: 239854
- XMLGFPreprocessor: read time: 0.0001121
- XMLGFPreprocessor: local read rate: 510.3 MB/s  aggregate read rate: 2041 MB/s
- XMLGFPreprocessor: tag fixing time: 0.0003521
- XMLGFPreprocessor: segment definition time: 0.004858
- XMLGFPreprocessor: boundary adjustment time: 0.001927
- XMLGFPreprocessor: transcoding time: 0.0001631
- XMLGFPreprocessor: data redistribution time: 0.001187
- XMLGFPreprocessor: XML compacting time: 0.0007529
- XMLGFPreprocessor: total time: 0.009787
- xmlcontent.size(): 2406
- Starting XML parsing
- SpeciesHandler: found href in species definition
- name=silicon href=Si_VBC_LDA-1.0.xml
-
- species silicon:
-<species name="silicon" href="Si_VBC_LDA-1.0.xml">
- <description>
-Translated from UPF format by upf2qso
-Generated using unknown code
-Author: Von Barth-Car ( 1984)
-Info: automatically converted from PWSCF format
-    0        The Pseudo was generated with a Non-Relativistic Calculation
-  0.00000000000E+00    Local Potential cutoff radius
-nl pn  l   occ               Rcut            Rcut US             E pseu
-3S  0  0  2.00      0.00000000000      0.00000000000      0.00000000000
-3P  0  1  2.00      0.00000000000      0.00000000000      0.00000000000
-SLA PZ NOGX NOGC
-</description>
- <symbol>Si</symbol>
- <atomic_number>14</atomic_number>
- <mass>28.09</mass>
- <norm_conserving_pseudopotential>
- <valence_charge>4</valence_charge>
- <lmax>2</lmax>
- <llocal>2</llocal>
- <nquad>0</nquad>
- <rquad>0</rquad>
- <mesh_spacing>0.01</mesh_spacing>
- </norm_conserving_pseudopotential>
-</species>
- Kleinman-Bylander potential
- rcps_ =   1.500000
- WavefunctionHandler::startElement: wavefunction nspin=1 nel=16 nempty=0
- kpoint=0.000000 0.000000 0.000000 weight=1.000000 size=8
- XML parsing done
- wavefunction was read
- SampleReader::readSample: grid nx,ny,nz=14 14 14
- SampleReader: read time: 0.058581 s
-[qbox] <cmd>compute_mlwf</cmd>
- <mlwf_set size="8">
-   <mlwf center="   -1.642349   -1.956538    0.000125 " spread=" 2.272888 "/>
-   <mlwf center="   -1.642344    1.956555    0.000119 " spread=" 2.272892 "/>
-   <mlwf center="   -4.661109   -0.000001   -0.000015 " spread=" 2.248696 "/>
-   <mlwf center="    0.000132   -0.000006    0.000225 " spread=" 2.752357 "/>
-   <mlwf center="    4.661105    0.000001   -0.000017 " spread=" 2.248691 "/>
-   <mlwf center="    1.642252   -1.956737    0.000173 " spread=" 2.272917 "/>
-   <mlwf center="    1.642258    1.956729    0.000158 " spread=" 2.272918 "/>
-   <mlwf center="    0.000003    0.000000   -0.001036 " spread=" 3.100348 "/>
- </mlwf_set>
- <electronic_dipole> 0.000104 -0.000005 0.000535 </electronic_dipole>
- <ionic_dipole> 0.000000 0.000000 0.000000 </ionic_dipole>
- <total_dipole> 0.000104 -0.000005 0.000535 </total_dipole>
- <total_dipole_length> 0.000545 </total_dipole_length>
-[qbox]  End of command stream 
-<real_time> 0.808292 </real_time>
-<end_time> 2012-04-25T17:38:09Z </end_time>
-</fpmd:simulation>