"parserSpecific":"### CASTEP output examples\n[Note: The list below is much shorter than the existing examples]\nA few output files to test the parser are provided in the directory `castep/test/examples/*/`.\n\n FILE NAME | FILE DESCRIPTION\n __________________|___________________________________________________\n\"Si2.castep_v_1\" --> Single Point Calculation (minimum verbosity)\n\"Si2.castep_v_2\" --> Single Point Calculation (medium verbosity)\n\"Si2.castep_v_3\" --> Single Point Calculation (maximum verbosity)\n\n\"Si2.castep_b_v_1\" --> Band Structure Calculation (minimum verbosity)\n\"Si2.castep_b_v_2\" --> Band Structure Calculation (medium verbosity)\n\"Si2.castep_b_v_3\" --> Band Structure Calculation (maximum verbosity)\n",
"parserSpecific":"## Usage notes\nThe parser is based on CP2K 2.6.2.\n\nThe CP2K input setting\n[PRINT_LEVEL](https://manual.cp2k.org/trunk/CP2K_INPUT/GLOBAL.html#PRINT_LEVEL)\ncontrols the amount of details that are outputted during the calculation. The\nhigher this setting is, the more can be parsed from the upload.\n\nThe parser will try to find the paths to all the input and output files, but if\nthey are located very deep inside some folder structure or outside the folder\nwhere the output file is, the parser will not be able to locate them. For this\nreason it is recommended to keep the upload structure as flat as possible.\n\nHere is a list of features/fixes that would make the parsing of CP2K results\neasier:\n- The pdb trajectory output doesn't seem to conform to the actual standard as\n the different configurations are separated by the END keyword which is\n supposed to be written only once in the file. The [format\n specification](http://www.wwpdb.org/documentation/file-format) states that\n different configurations should start with MODEL and end with ENDMDL tags.\n- The output file should contain the paths/filenames of different input and\n output files that are accessed during the program run. This data is already\n available for some files (input file, most files produced by MD), but many\n are not mentioned.\n",
"tableOfFiles":"|Input Filename| Description|\n|--- | --- |\n|`<text_file>` | **Mainfile:** a plain text file w/arbitrary name|\n|`exec/` | Subdir for runtime information |\n|`exec/parser.log` | Input variables (user-defined & default values) |\n|`inp`| input file|\n|`parse.log`| **Warining** : probably obsolete|\n|`restart/`| Data to restart a calculation, e.g., `restart/gs/` is for ground-state|\n|`static/` | Subdir to report static part of a calculation|\n|`static/eigenvalues`| |\n|`static/info` | General info on static part|\n"
"tableOfFiles":"|Filename| Description|\n|---|---|\n|`<text_file>`|**Mainfile:** a plain text file w/arbitrary name. \\\nOne of the top lines must contain '`Program PWSCF.*starts`', \\\nwhere '`.*`' means an arbitrary number '`*`' of arbitrary \\\ncharacters '`.`'|\"\n"
"tableOfFiles":"|Input Filename| Description|\n|--- | --- |\n|`vasprun.xml` | **Mainfile** in plain-text (structured) XML format |\n|`OUTCAR` | plain-text (semi-structured) file, VAPS's detailed output. Read by NOMAD only as fallback to parse `outcar` data |\n"
